SCHEMBL6428658

SCHEMBL6428658

O=C(O)Cc1ncncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
GABRA5 P31644 4/20 0.39
GABRB2 P47870 4/20 0.39
GABRA1 P14867 3/20 0.39
GABRA4 P48169 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRR1 P24046 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
GABRR2 P28476 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PMP22 Q01453 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
AKR1B1 P15121 3/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7962293 0.78 HTT (0.47) TSHRCA2P2RX7HTT
SCHEMBL28182827 0.78 ALDH1A1 (0.34) ALDH1A1CYP3A4KDM4EMAPTP2RX7
SCHEMBL874090 0.77 CYP1A2 (0.50) CYP1A2GABRA5GABRB2GABRA1GABRA4
SCHEMBL17866361 0.76 KEAP1 (0.41) ALDH1A1HSD17B10P4HTM
Hydrochloric Acid SCHEMBL6645397 0.75 KDM4E (0.48) CYP1A2GABRA5GABRB2GABRA1GABRA4
SCHEMBL24786402 0.73 CA2 (0.43) CYP1A2GABRA5GABRB2GABRA1GABRA4
SCHEMBL7499590 0.73 GABRA1 (0.53) CYP1A2GABRA5GABRB2GABRA1GABRA4
SCHEMBL28048188 0.72 EGLN1 (0.43) CYP1A2GABRA5GABRB2GABRA1GABRA4
SCHEMBL17973028 0.71 AGBL2 (0.43) CYP1A2GABRA5GABRB2GABRA1GABRA4
SCHEMBL18860995 0.71 ALDH1A1 (0.42) CYP1A2GABRA5GABRB2GABRA1GABRA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422751-B1 Substituted 2-pyrimidinyl and 2-triazinylacetic acid derivatives, process for their preparation and their use as agent with herbicidal, fungicidal and plant growth regulating activity HOECHST SCHERING AGREVO GMBH (DE) 1996-08-14 EP claimed
US-5098465-A Triazine or pyrimidine acetic acids or amides SHERING AKTIENGESELLSCHAFT (DE) 1992-03-24 US claimed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
WO-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed
US-5604181-A Pyrimidine derivatives herbicides AGREVO UK LIMITED (GB) 1997-02-18 US disclosed
EP-0422751-B1 Substituted 2-pyrimidinyl and 2-triazinylacetic acid derivatives, process for their preparation and their use as agent with herbicidal, fungicidal and plant growth regulating activity HOECHST SCHERING AGREVO GMBH (DE) 1996-08-14 EP disclosed
US-5502028-A Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives SCHERING AGROCHEMICALS LIMITED (GB) 1996-03-26 US disclosed
EP-0660829-A1 PYRIMIDINE DERIVATIVE HERBICIDES AgrEvo UK Limited (GB) 1995-07-05 EP disclosed
US-5317005-A Pyrimidinyl and triazinyl herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-05-31 US disclosed
WO-1994005644-A1 PYRIMIDINE DERIVATIVE HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1994-03-17 WO disclosed
EP-0575404-A1 HERBICIDES AgrEvo UK Limited (GB) 1993-12-29 EP disclosed
US-5238907-A Substituted 2-pyrimidinyl-acetic acid derivatives, and their use as herbicides, fungicides and plant growth regulators SCHERING AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed
US-5238907-A Substituted 2-pyrimidinyl-acetic acid derivatives, and their use as herbicides, fungicides and plant growth regulators SCHERING AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed
EP-0539427-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES AgrEvo UK Limited (GB) 1993-05-05 EP disclosed
WO-1992016511-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-10-01 WO disclosed
US-5098465-A Triazine or pyrimidine acetic acids or amides SHERING AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
US-5098465-A Triazine or pyrimidine acetic acids or amides SHERING AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
WO-1992001677-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-02-06 WO disclosed
EP-0422751-A2 Substituted 2-pyrimidinyl and 2-triazinylacetic acid derivatives, process for their preparation and their use as agent with herbicidal, fungicidal and plant growth regulating activity Hoechst Schering AgrEvo GmbH (DE) 1991-04-17 EP disclosed