SCHEMBL1683464

SCHEMBL1683464

COCC(O)COc1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.84
FGFR1 P11362 2/20 0.58
EGFR P00533 2/20 0.58
ERBB2 P04626 2/20 0.58
LCK P06239 1/20 0.58
PDGFRB P09619 1/20 0.58
CYP3A4 P08684 3/20 0.43
KCNH2 Q12809 2/20 0.43
FLT1 P17948 1/20 0.43
ULK1 O75385 1/20 0.38

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
SCHEMBL1683459 1.00 KDR (0.84) KDRFGFR1EGFRERBB2LCK
SCHEMBL12808319 0.91 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683398 0.91 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683433 0.85 KDR (0.76) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683431 0.81 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL26928560 0.73 KDR (1.00) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683428 0.67 KDR (0.51) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683443 0.67 KDR (0.61) KDRFGFR1EGFRERBB2LCK
SCHEMBL1683463 0.67 KDR (0.82) KDRFGFR1EGFRLCKPDGFRB
SCHEMBL1683465 0.67 KDR (0.82) KDRFGFR1EGFRLCKPDGFRB

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 2 patents. 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
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed