SCHEMBL6970247

SCHEMBL6970247

COc1cc(Nc2nccc(-c3ccc(OCCN(C)C)cc3)n2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.66
EGFR P00533 3/20 0.66
PIK3CA P42336 3/20 0.66
PIK3CB P42338 3/20 0.66
PIK3CG P48736 3/20 0.66
JAK2 O60674 1/20 0.66
PTK2B Q14289 1/20 0.66
IKBKB O14920 3/20 0.62
ZAP70 P43403 7/20 0.59
PRKD3 O94806 3/20 0.59
PRKCG P05129 3/20 0.59
PRKCB P05771 3/20 0.59
LCK P06239 3/20 0.59
PRKCA P17252 3/20 0.59
PRKCH P24723 3/20 0.59
PRKCI P41743 3/20 0.59
PRKCE Q02156 3/20 0.59
PRKCQ Q04759 3/20 0.59
PRKCZ Q05513 3/20 0.59
PRKCD Q05655 3/20 0.59

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
SCHEMBL6977338 0.95 CDK2 (0.65) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL6971022 0.88 CDK2 (0.70) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL6969186 0.86 CDK2 (0.67) CDK2EGFRPIK3CAPIK3CBPIK3CG
Dimethylamine SCHEMBL6977342 0.86 CDK2 (0.67) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL4732945 0.85 PIK3CA (0.80) CDK2EGFRPIK3CAPIK3CBPIK3CG
Dimethylamine SCHEMBL6970249 0.84 CDK2 (0.70) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL6980595 0.81 CDK2 (0.66) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL6978350 0.81 ZAP70 (0.61) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL6979315 0.81 CDK2 (0.79) CDK2EGFRPIK3CAPIK3CBPIK3CG
SCHEMBL7476936 0.80 IKBKB (0.72) PIK3CAPIK3CBPIK3CGJAK2IKBKB

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