SCHEMBL5609458

SCHEMBL5609458

Cc1cc2cc(Nc3ncnn4cc(-c5nnc(C)o5)c(C(C)C)c34)c[nH]c-2n1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.65
FGFR1 P11362 10/20 0.65
LCK P06239 3/20 0.65
ERBB2 P04626 2/20 0.65
EGFR P00533 1/20 0.65
PDGFRB P09619 1/20 0.65
FLT1 P17948 9/20 0.63
CYP3A4 P08684 4/20 0.63
KCNH2 Q12809 1/20 0.63
FGFR2 P21802 8/20 0.50
FGFR4 P22455 8/20 0.50
FGFR3 P22607 8/20 0.50
FLT4 P35916 8/20 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
SCHEMBL5598177 0.83 KDR (0.66) KDRFGFR1LCKERBB2EGFR
SCHEMBL26928560 0.79 KDR (1.00) KDRFGFR1LCKERBB2EGFR
SCHEMBL1683446 0.78 KDR (1.00) KDRFGFR1LCKERBB2EGFR
SCHEMBL30737916 0.78 KDR (1.00) KDRFGFR1LCKERBB2EGFR
SCHEMBL1683381 0.71 KDR (0.77) KDRFGFR1LCKERBB2EGFR
SCHEMBL1683404 0.70 KDR (0.54) KDRFGFR1LCKERBB2EGFR
SCHEMBL5608316 0.68 KDR (0.68) KDRFGFR1LCKERBB2EGFR
SCHEMBL5608322 0.67 KDR (0.66) KDRFGFR1LCKERBB2EGFR
SCHEMBL26928301 0.67 KDR (1.00) KDRFGFR1LCKERBB2FLT1
SCHEMBL1683503 0.65 NR1H2 (0.49) KDRFGFR1LCKERBB2EGFR

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