SCHEMBL1683443

SCHEMBL1683443

COC(=O)Oc1cn2ncnc(Nc3cnc4[nH]ccc4c3F)c2c1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.61
FGFR1 P11362 7/20 0.40
FLT1 P17948 7/20 0.40
FLT4 P35916 7/20 0.40
FGFR2 P21802 6/20 0.40
FGFR4 P22455 6/20 0.40
FGFR3 P22607 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ERBB2 P04626 2/20 0.40
LCK P06239 2/20 0.40
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL1683473 0.87 KDR (0.67) KDR
SCHEMBL1683433 0.81 KDR (0.76) KDRFGFR1FLT1CYP3A4ERBB2
SCHEMBL1683420 0.78 KDR (0.72) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL1683425 0.78 KDR (0.72) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL1683447 0.77 KDR (0.60) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL1683445 0.77 KDR (0.60) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL1683381 0.76 KDR (0.77) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL1683413 0.76 KDR (1.00) KDRFGFR1FLT1FLT4FGFR2
SCHEMBL1683407 0.73 KDR (0.50) KDRCYP3A4
SCHEMBL1683477 0.72 KDR (0.61) KDRFGFR1FLT1FLT4FGFR2

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-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP claimed