SCHEMBL6976486

SCHEMBL6976486

COc1cc(Nc2nccc(-c3nccs3)n2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.74
ZAP70 P43403 8/20 0.74
SRC P12931 7/20 0.74
CDK2 P24941 6/20 0.62
JAK2 O60674 1/20 0.62
EGFR P00533 1/20 0.62
PIK3CA P42336 1/20 0.62
PIK3CB P42338 1/20 0.62
PIK3CG P48736 1/20 0.62
PTK2B Q14289 1/20 0.62
AURKA O14965 3/20 0.61
CDK1 P06493 3/20 0.61
CDK7 P50613 3/20 0.61
CDK9 P50750 3/20 0.61
AURKB Q96GD4 3/20 0.61
CDK4 P11802 2/20 0.61
PRKD3 O94806 1/20 0.61
PRKCG P05129 1/20 0.61
PRKCB P05771 1/20 0.61
LCK P06239 1/20 0.61

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
SCHEMBL6979315 0.82 CDK2 (0.79) ZAP70CDK2JAK2EGFRPIK3CA
SCHEMBL13924506 0.81 SYK (0.79) SYKZAP70SRCCDK2PIK3CA
SCHEMBL14378948 0.81 ZAP70 (0.70) SYKZAP70SRCCDK2JAK2
SCHEMBL4354439 0.81 CDK2 (0.69) SYKZAP70SRCCDK2JAK2
SCHEMBL13924509 0.81 SYK (1.00) SYKZAP70SRCCDK2
SCHEMBL6980400 0.81 CDK2 (0.69) ZAP70CDK2JAK2EGFRPIK3CA
SCHEMBL13924446 0.80 SYK (0.60) SYKZAP70SRCCDK2JAK2
SCHEMBL5036805 0.80 CDK2 (0.65) SYKZAP70SRCCDK2JAK2
SCHEMBL13924488 0.80 SYK (0.65) SYKZAP70SRCCDK2JAK2
SCHEMBL13924462 0.80 SYK (0.80) SYKZAP70SRCCDK2EGFR

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