SCHEMBL7952306

SCHEMBL7952306

COc1cccc(Nc2ccnc(Nc3cc(OC)c(OC)c(OCc4ccccc4)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.67
EGFR P00533 2/20 0.65
KDR P35968 3/20 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 0.52
AURKA O14965 1/20 0.52
BRD4 O60885 1/20 0.51
ROCK1 Q13464 1/20 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
SCHEMBL6976694 0.90 EGFR (0.81) IGF1REGFRKDRINSRMET
SCHEMBL1116439 0.86 IGF1R (0.70) IGF1REGFRKDRINSRMET
SCHEMBL6980901 0.86 IGF1R (0.70) IGF1REGFRKDRINSRMET
SCHEMBL6971010 0.84 EGFR (0.74) IGF1REGFRKDRINSRMET
SCHEMBL6981464 0.83 IGF1R (0.78) IGF1REGFRKDRINSRMET
SCHEMBL31046394 0.82 EGFR (0.92) IGF1REGFRKDRCDK2AURKA
Hydrochloric Acid SCHEMBL7945502 0.82 EGFR (0.71) IGF1REGFRKDRINSRMET
SCHEMBL6976965 0.81 EGFR (0.69) IGF1REGFRKDRINSRMET
SCHEMBL1116426 0.81 IGF1R (0.74) IGF1REGFRKDRINSRMET
SCHEMBL1377802 0.81 EGFR (1.00) IGF1REGFRKDRCDK2AURKA

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
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed