SCHEMBL6979937

SCHEMBL6979937

COc1cc(NNc2nccc(Nc3ccc4nc(C)[nH]c4c3)n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 13/20 0.62
KDR P35968 3/20 0.55
BRD4 O60885 1/20 0.55
CDK2 P24941 2/20 0.48
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
MET P08581 1/20 0.48
TEK Q02763 1/20 0.48
FAM20C Q8IXL6 1/20 0.47
SYK P43405 1/20 0.41
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
AURKB Q96GD4 1/20 0.41
PLK1 P53350 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6979933 0.92 IGF1R (0.59) IGF1RKDRBRD4CDK2EGFR
SCHEMBL6979973 0.77 IGF1R (0.56) IGF1RKDRBRD4CDK2EGFR
SCHEMBL6668581 0.76 IGF1R (1.00) IGF1RKDRBRD4CDK2EGFR
SCHEMBL6645968 0.74 IGF1R (1.00) IGF1RKDRBRD4CDK2EGFR
SCHEMBL1116462 0.74 IGF1R (0.79) IGF1RKDRBRD4CDK2EGFR
SCHEMBL6979830 0.73 ALDH1A1 (0.50) IGF1RKDRSYKMEN1ALDH1A1
SCHEMBL6976835 0.73 IGF1R (0.78) IGF1RKDRBRD4CDK2EGFR
Gw612286X SCHEMBL21067484 0.73 KDR (0.72) IGF1RKDRBRD4CDK2EGFR
SCHEMBL6980742 0.70 FAM20C (0.78) IGF1RKDRBRD4CDK2EGFR
SCHEMBL6967800 0.69 IGF1R (0.71) IGF1RKDRBRD4CDK2EGFR

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-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
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