SCHEMBL14214630

SCHEMBL14214630

COc1ccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.51
KDR P35968 2/20 0.51
MAPK14 Q16539 2/20 0.51
IGF1R P08069 1/20 0.45
CDK4 P11802 2/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
VCP P55072 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
SCN9A Q15858 1/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 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
SCHEMBL14214622 0.85 LCK (0.43) LCKKDRMAPK14CDK4CDK2
SCHEMBL14214545 0.83 AURKA (0.47) LCKKDRMAPK14SCN9AGABRP
SCHEMBL14214540 0.82 GSK3B (0.43) LCKKDRMAPK14GSK3BGABRP
SCHEMBL14214546 0.82 PIK3CA (0.48) LCKKDRMAPK14GSK3BGABRP
SCHEMBL14214544 0.81 PIK3CA (0.46) LCKKDRMAPK14SCN9AFLT3
SCHEMBL14214537 0.81 PIK3CA (0.61) LCKKDRMAPK14PLK1PTK2
SCHEMBL14214536 0.81 MAPK1 (0.50) KDRSCN9AGABRPGABRDGABRA1
SCHEMBL14214629 0.79 GABRP (0.46) LCKKDRMAPK14GSK3BVCP
SCHEMBL14214543 0.78 CCNT1 (0.46) CDK2GSK3BAURKA
SCHEMBL14214608 0.75 GSK3B (0.41) LCKKDRMAPK14GSK3BGABRP

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