SCHEMBL14214540

SCHEMBL14214540

Nc1ccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
AURKA O14965 5/20 0.43
AURKB Q96GD4 1/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
KDR P35968 3/20 0.41
LCK P06239 2/20 0.41
MAPK14 Q16539 2/20 0.41
BCL6 P41182 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39

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 0.89 PIK3CA (0.48) GSK3BAURKAAURKBPIK3CAMTOR
SCHEMBL14214544 0.88 PIK3CA (0.46) AURKAPIK3CAMTORKDRLCK
SCHEMBL14214543 0.87 CCNT1 (0.46) GSK3BAURKAAURKB
SCHEMBL14214629 0.83 GABRP (0.46) GSK3BAURKAKDRLCKMAPK14
SCHEMBL14214630 0.82 LCK (0.51) GSK3BAURKAKDRLCKMAPK14
SCHEMBL14214608 0.81 GSK3B (0.41) GSK3BAURKAPIK3CAMTORKDR
SCHEMBL14214545 0.81 AURKA (0.47) AURKAPIK3CAMTORKDRLCK
SCHEMBL14214537 0.81 PIK3CA (0.61) AURKAAURKBPIK3CAMTORKDR
SCHEMBL14214536 0.81 MAPK1 (0.50) PIK3CAMTORKDRGABRPGABRD
SCHEMBL14214622 0.81 LCK (0.43) GSK3BAURKAPIK3CAMTORKDR

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