SCHEMBL14214543

SCHEMBL14214543

NS(=O)(=O)c1ccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.46
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
CDK9 P50750 7/20 0.46
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
CDK2 P24941 2/20 0.46
PIK3CD O00329 1/20 0.46
AURKA O14965 1/20 0.46
DCLK1 O15075 1/20 0.46
PIK3C2G O75747 1/20 0.46
PIK3CG P48736 1/20 0.46
MAPK7 Q13164 1/20 0.46
LRRK2 Q5S007 1/20 0.46
AURKB Q96GD4 1/20 0.46
IKBKB O14920 3/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CA12 O43570 4/20 0.43

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
SCHEMBL14214540 0.87 GSK3B (0.43) AURKAAURKBGSK3B
SCHEMBL14214546 0.85 PIK3CA (0.48) PIK3CDAURKAPIK3CGAURKBGSK3B
SCHEMBL14214544 0.80 PIK3CA (0.46) AURKA
SCHEMBL14214629 0.80 GABRP (0.46) AURKAGSK3B
SCHEMBL14214626 0.80 CDK1 (0.47) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL14214630 0.78 LCK (0.51) CDK2AURKAGSK3B
SCHEMBL14214608 0.78 GSK3B (0.41) AURKAGSK3B
SCHEMBL14214545 0.78 AURKA (0.47) PIK3CDAURKAPIK3CG
SCHEMBL14214537 0.78 PIK3CA (0.61) PIK3CDAURKAPIK3CGAURKB
SCHEMBL14214536 0.78 MAPK1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed