SCHEMBL6976166

SCHEMBL6976166

COc1cc(Nc2nccc(Nc3ccc4c(c3)OCO4)n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.69
IGF1R P08069 12/20 0.66
KDR P35968 3/20 0.58
BRD4 O60885 1/20 0.58
EGFR P00533 2/20 0.57
INSR P06213 2/20 0.57
MET P08581 1/20 0.57
CDK2 P24941 1/20 0.57
TEK Q02763 1/20 0.57
FAM20C Q8IXL6 1/20 0.55
SYK P43405 1/20 0.55
LMNA P02545 1/20 0.54
CLK2 P49760 2/20 0.54
DYRK1A Q13627 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
CLK1 P49759 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
PLK1 P53350 1/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53

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 0.85 IGF1R (0.79) EPHB4IGF1RKDRBRD4EGFR
SCHEMBL6976835 0.84 IGF1R (0.78) EPHB4IGF1RKDRBRD4EGFR
SCHEMBL6981394 0.83 CLK1 (0.69) EPHB4EGFRCDK2CLK2DYRK1A
SCHEMBL1171685 0.82 EPHB4 (0.71) EPHB4IGF1RKDREGFRINSR
SCHEMBL7010764 0.82 PDE5A (0.59) EPHB4LMNASLK
SCHEMBL1172122 0.82 EPHB4 (0.79) EPHB4IGF1R
SCHEMBL12864817 0.82 EPHB4 (1.00) EPHB4
SCHEMBL1171630 0.82 EPHB4 (0.79) EPHB4IGF1RPLK1
SCHEMBL6980742 0.80 FAM20C (0.78) IGF1RKDRBRD4EGFRINSR
SCHEMBL6645968 0.80 IGF1R (1.00) EPHB4IGF1RKDRBRD4EGFR

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