SCHEMBL1683433

SCHEMBL1683433

COC(=O)Oc1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.76
FGFR1 P11362 2/20 0.61
EGFR P00533 2/20 0.61
ERBB2 P04626 2/20 0.61
LCK P06239 1/20 0.61
PDGFRB P09619 1/20 0.61
CYP3A4 P08684 2/20 0.45
FLT1 P17948 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL12808319 0.86 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683398 0.86 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683431 0.86 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683464 0.85 KDR (0.84) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683459 0.85 KDR (0.84) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683443 0.81 KDR (0.61) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683428 0.81 KDR (0.51) KDRFGFR1EGFRERBB2LCK
SCHEMBL26928560 0.76 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL5740309 0.75 KDR (0.54) KDREGFRERBB2
SCHEMBL27541332 0.74 KDR (0.51) KDRFGFR1EGFRERBB2LCK

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