SCHEMBL5608322

SCHEMBL5608322

Cc1nnc(-c2cn3ncnc(Nc4cnc5c(c4F)CC(C)N5)c3c2C(C)C)o1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.66
CYP3A4 P08684 7/20 0.54
FGFR1 P11362 6/20 0.54
FLT1 P17948 5/20 0.54
KCNH2 Q12809 1/20 0.54
ERBB2 P04626 2/20 0.53
LCK P06239 2/20 0.53
EGFR P00533 1/20 0.53
PDGFRB P09619 1/20 0.53
FGFR2 P21802 4/20 0.53
FGFR4 P22455 4/20 0.53
FGFR3 P22607 4/20 0.53
FLT4 P35916 4/20 0.53

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
SCHEMBL5608316 0.84 KDR (0.68) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL1683381 0.80 KDR (0.77) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL5598177 0.74 KDR (0.66) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL26928560 0.69 KDR (1.00) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL26928301 0.69 KDR (1.00) KDRCYP3A4FGFR1FLT1ERBB2
SCHEMBL1683404 0.68 KDR (0.54) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL5609458 0.67 KDR (0.65) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL1683390 0.67 KDR (0.78) KDRCYP3A4FGFR1FLT1KCNH2
SCHEMBL26928144 0.62 KDR (1.00) KDRCYP3A4FGFR1FLT1ERBB2
SCHEMBL5598276 0.61 KDR (0.69) KDRCYP3A4FGFR1FLT1KCNH2

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 disclosed
EP-1539763-A1 AZAINDOLE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
WO-2004009601-A1 AZAINDOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO disclosed