SCHEMBL7552061

SCHEMBL7552061

CC(C)(Oc1ccc(Cl)cc1)c1ccnc2ncnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 7/20 0.44
GAA P10253 3/20 0.44
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
GLA P06280 2/20 0.37
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.34
AURKA O14965 1/20 0.34
RCE1 Q9Y256 1/20 0.34
EGLN2 Q96KS0 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
SCHEMBL7789852 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL6619139 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL7554436 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL6617306 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL8606451 0.69 PPARA (0.34) ALDH1A1KDM4EPOLBSMN1; SMN2LMNA
SCHEMBL9038287 0.69 KDM4E (0.49) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL7789860 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL8124652 0.68 KDM4E (0.51) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL1332491 0.65 ALDH1A1 (0.49) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL4820655 0.62 PPARA (0.55) ALDH1A1SMN1; SMN2LMNAHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218008-A2 NEW USE OF 1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES KNOLL AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
EP-1161243-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A PYRIMIDINE DERIVATIVE AND CYCLODEXTRIN Knoll GmbH (DE) 2001-12-12 EP claimed
WO-2001000186-A2 NEW USE OF 1,2,4-TRIAZOLO'1,5-A! PYRIMIDINES KNOLL GMBH (DE) 2001-01-04 WO claimed
WO-2000056336-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A PYRIMIDINE DERIVATIVE AND CYCLODEXTRIN KNOLL GMBH (DE) 2000-09-28 WO claimed
EP-0723546-B1 1,2,4 - TRIZOLO[1,5-a]PYRIMIDINE AND THEIR USE FOR TREATMENT OF NEUROLOGICAL DISORDERS KNOLL AG (DE) 2000-01-19 EP claimed
CN-1040537-C Substituted 1,2, 4-triazolo [1,5-a] pyrimidines, processes for their preparation and pharmaceutical compositions containing them KNOLL AG (DE) 1998-11-04 CN claimed
CN-1135754-A Therapeutic agents KNOLL AG (DE) 1996-11-13 CN claimed
EP-0723546-A1 1,2,4 - Triazolo (1,5-a) pyrimitives and their use for treatment of neurological disorders Knoll AG (DE) 1996-07-31 EP claimed
WO-1995010521-A1 THERAPEUTIC AGENTS KNOLL AG (DE) 1995-04-20 WO claimed
EP-1161243-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A PYRIMIDINE DERIVATIVE AND CYCLODEXTRIN Knoll GmbH (DE) 2001-12-12 EP disclosed
WO-2000056336-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A PYRIMIDINE DERIVATIVE AND CYCLODEXTRIN KNOLL GMBH (DE) 2000-09-28 WO disclosed
EP-0723546-B1 1,2,4 - TRIZOLO[1,5-a]PYRIMIDINE AND THEIR USE FOR TREATMENT OF NEUROLOGICAL DISORDERS KNOLL AG (DE) 2000-01-19 EP disclosed
CN-1040537-C Substituted 1,2, 4-triazolo [1,5-a] pyrimidines, processes for their preparation and pharmaceutical compositions containing them KNOLL AG (DE) 1998-11-04 CN disclosed
CN-1135754-A Therapeutic agents KNOLL AG (DE) 1996-11-13 CN disclosed
EP-0723546-A1 1,2,4 - Triazolo (1,5-a) pyrimitives and their use for treatment of neurological disorders Knoll AG (DE) 1996-07-31 EP disclosed
WO-1995010521-A1 THERAPEUTIC AGENTS KNOLL AG (DE) 1995-04-20 WO disclosed