SCHEMBL7934702

SCHEMBL7934702

C=CCNc1nc(OC(F)(F)F)cc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7935900 0.90 GAA (0.41) L3MBTL1LMNACYP1A2CYP2C19GAA
SCHEMBL7933961 0.89 KDM4E (0.43) ATML3MBTL1POLBBLMKDM4E
SCHEMBL7937891 0.84 HTR2A (0.37) ATML3MBTL1POLBCYP1A2CYP2C19
SCHEMBL7925335 0.83 CYP1A2 (0.38) ATML3MBTL1KDM4ELMNACYP1A2
SCHEMBL7934684 0.78 GAA (0.39) L3MBTL1LMNACYP1A2CYP2C19GAA
SCHEMBL7925318 0.77 HPGD (0.45) ATML3MBTL1POLBBLMKDM4E
SCHEMBL9185037 0.73 GAA (0.50) POLBLMNACYP1A2CYP2C19GAA
SCHEMBL7935982 0.73 CYP1A2 (0.37) ATML3MBTL1KDM4ELMNACYP1A2
SCHEMBL7925332 0.73 HTR2A (0.36) ATML3MBTL1POLBCYP1A2CYP2C19
SCHEMBL9190290 0.71 GAA (0.44) LMNACYP1A2CYP2C19GAAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235904-B1 VALUABLE INTERMEDIATES FOR ORGANIC SYNTHESES, ESPECIALLY FOR PREPARING CROP PROTECTION AGENTS. BASF AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
EP-0445642-B1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF AG (DE) 1995-07-12 EP disclosed
US-5283332-A 2-amino(fluoroalkoxy)pyrimidines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0445642-A1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF Aktiengesellschaft (DE) 1991-09-11 EP disclosed