SCHEMBL14214537

SCHEMBL14214537

O=c1[nH]c2ccccc2n1-c1ncnc(Nc2cccc(O)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.61
MTOR P42345 11/20 0.61
KDR P35968 4/20 0.50
PIK3CD O00329 3/20 0.50
PIK3CB P42338 3/20 0.50
PIK3CG P48736 3/20 0.50
BRAF P15056 2/20 0.50
RAF1 P04049 1/20 0.50
TGFBR2 P37173 1/20 0.50
CSNK1D P48730 1/20 0.50
AURKA O14965 3/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
SRC P12931 1/20 0.47
ACVR1 Q04771 1/20 0.47
PTK6 Q13882 1/20 0.47
ALK Q9UM73 1/20 0.47
AURKC Q9UQB9 1/20 0.47
HSP90AA1 P07900 2/20 0.46
SYK P43405 1/20 0.42

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
SCHEMBL14214546 0.88 PIK3CA (0.48) PIK3CAMTORKDRPIK3CDPIK3CB
SCHEMBL14214544 0.87 PIK3CA (0.46) PIK3CAMTORKDRAURKAEGFR
SCHEMBL14214545 0.87 AURKA (0.47) PIK3CAMTORKDRPIK3CDPIK3CB
SCHEMBL14214540 0.81 GSK3B (0.43) PIK3CAMTORKDRAURKAEGFR
SCHEMBL14214630 0.81 LCK (0.51) KDRAURKAPTK6PLK1PTK2
SCHEMBL14214629 0.81 GABRP (0.46) KDRAURKAHSP90AA1LCKMAPK14
SCHEMBL14214683 0.81 SYK (0.42) PIK3CAMTORKDRBRAFRAF1
SCHEMBL14214536 0.81 MAPK1 (0.50) PIK3CAMTORKDREGFRPTK6
SCHEMBL14214543 0.78 CCNT1 (0.46) PIK3CDPIK3CGAURKAAURKB
SCHEMBL14214622 0.76 LCK (0.43) PIK3CAMTORKDRPIK3CDPIK3CG

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