SCHEMBL6668581

SCHEMBL6668581

COc1cc(Nc2nccc(Nc3ccc4nc[nH]c4c3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 1.00
KDR P35968 2/20 0.63
BRD4 O60885 1/20 0.63
EGFR P00533 1/20 0.59
INSR P06213 1/20 0.59
MET P08581 1/20 0.59
CDK2 P24941 1/20 0.59
TEK Q02763 1/20 0.59
FAM20C Q8IXL6 1/20 0.56
SYK P43405 1/20 0.52
QPCT Q16769 3/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL1116462 0.84 IGF1R (0.79) IGF1RKDRBRD4EGFRINSR
SCHEMBL6645968 0.83 IGF1R (1.00) IGF1RKDRBRD4EGFRINSR
SCHEMBL6976835 0.83 IGF1R (0.78) IGF1RKDRBRD4EGFRINSR
SCHEMBL6980742 0.79 FAM20C (0.78) IGF1RKDRBRD4EGFRINSR
Gw612286X SCHEMBL21067484 0.79 KDR (0.72) IGF1RKDRBRD4EGFRINSR
SCHEMBL31592617 0.78 IGF1R (0.69) IGF1RKDRBRD4EGFRINSR
SCHEMBL6967800 0.78 IGF1R (0.71) IGF1RKDRBRD4EGFRINSR
SCHEMBL31180291 0.78 IGF1R (0.71) IGF1RKDRBRD4EGFRINSR
SCHEMBL1116426 0.78 IGF1R (0.74) IGF1RKDRBRD4EGFRINSR
SCHEMBL6981464 0.78 IGF1R (0.78) IGF1RKDRBRD4EGFRINSR

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-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed