SCHEMBL7084448

SCHEMBL7084448

O=c1[nH]c2ncccc2cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.70
KDR P35968 2/20 0.70
PDGFRB P09619 1/20 0.70
FLT1 P17948 1/20 0.57
CDK1 P06493 1/20 0.55
CDK2 P24941 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
NPC1 O15118 7/20 0.53
RAB9A P51151 5/20 0.53
DAO P14920 1/20 0.51
KDM4E B2RXH2 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
GBA1 P04062 1/20 0.51
USP2 O75604 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP3 P42574 1/20 0.49
ATM Q13315 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL1050560 0.84 KDR (0.70) FGFR1KDRPDGFRBFLT1CDK1
SCHEMBL3503147 0.83 KDR (1.00) FGFR1KDRPDGFRBFLT1NPC1
SCHEMBL7084245 0.78 FGFR1 (0.74) FGFR1KDRPDGFRBFLT1NPC1
SCHEMBL8696998 0.77 DAO (0.59) CDK1DAOKDM4EHPGDHSD17B10
SCHEMBL18726171 0.75 FGFR1 (0.65) FGFR1KDRPDGFRBFLT1KDM4E
SCHEMBL3540845 0.75 GSK3B (0.61) FGFR1KDRPDGFRBCDK1CDK2
SCHEMBL3504233 0.75 KDR (0.68) FGFR1KDRPDGFRBNPC1RAB9A
SCHEMBL10692090 0.74 DAO (0.52) FGFR1KDRPDGFRBCDK1DAO
SCHEMBL3501208 0.74 KDR (0.72) FGFR1KDRPDGFRBFLT1NPC1
SCHEMBL3502017 0.74 KDR (0.72) FGFR1KDRPDGFRBFLT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed