SCHEMBL5598276

SCHEMBL5598276

Cc1noc(-c2cn3ncnc(Nc4c[nH]c5nccc-5c4F)c3c2C(C)C)n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.69
FGFR1 P11362 11/20 0.56
FLT1 P17948 9/20 0.56
FGFR2 P21802 8/20 0.56
FGFR4 P22455 8/20 0.56
FGFR3 P22607 8/20 0.56
FLT4 P35916 8/20 0.56
LCK P06239 3/20 0.45
ERBB2 P04626 2/20 0.45
EGFR P00533 1/20 0.45
PDGFRB P09619 1/20 0.45
CYP3A4 P08684 3/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL1683413 0.82 KDR (1.00) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683390 0.79 KDR (0.78) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL5598177 0.75 KDR (0.66) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683451 0.72 KDR (0.57) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683381 0.68 KDR (0.77) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683384 0.66 KDR (1.00) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683444 0.65 KDR (0.50) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL5609458 0.63 KDR (0.65) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL1683395 0.63 KDR (0.67) KDRFGFR1FLT1FGFR2FGFR4
SCHEMBL5608316 0.62 KDR (0.68) KDRFGFR1FLT1FGFR2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539763-A4 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-01 EP claimed
EP-1539763-A1 AZAINDOLE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP claimed
WO-2004009601-A1 AZAINDOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO claimed