SCHEMBL6159003

SCHEMBL6159003

O=c1[nH]c2cc(O)ccc2cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.74
FGFR1 P11362 3/20 0.74
PDGFRB P09619 2/20 0.74
FLT1 P17948 2/20 0.54
CHEK1 O14757 1/20 0.54
NPC1 O15118 8/20 0.52
RAB9A P51151 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
USP2 O75604 1/20 0.52
CASP3 P42574 1/20 0.52
ATM Q13315 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KDM4E B2RXH2 4/20 0.51
GBA1 P04062 1/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
GUSB P08236 1/20 0.50

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
SCHEMBL3503147 0.86 KDR (1.00) KDRFGFR1PDGFRBFLT1CHEK1
SCHEMBL4298828 0.84 KDR (0.74) KDRFGFR1PDGFRBFLT1CHEK1
SCHEMBL4300569 0.84 KDR (0.74) KDRFGFR1PDGFRBCHEK1NPC1
SCHEMBL3501389 0.81 KDR (0.69) KDRFGFR1PDGFRBNPC1RAB9A
SCHEMBL3503448 0.81 KDR (0.69) KDRFGFR1PDGFRBNPC1RAB9A
SCHEMBL23469034 0.80 GUSB (0.55) KDRFGFR1PDGFRBFLT1CHEK1
SCHEMBL3502017 0.80 KDR (0.72) KDRFGFR1PDGFRBFLT1CHEK1
SCHEMBL3501208 0.80 KDR (0.72) KDRFGFR1PDGFRBFLT1CHEK1
SCHEMBL28673804 0.79 NPC1 (0.67) KDRFGFR1PDGFRBNPC1RAB9A
SCHEMBL7084245 0.78 FGFR1 (0.74) KDRFGFR1PDGFRBFLT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226119-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-03-16 EP disclosed
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