SCHEMBL6970735

SCHEMBL6970735

COc1cc(Nc2nccc(-c3ccc(OCCCN4C(=O)c5ccccc5C4=O)cc3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
PIK3CG P48736 2/20 0.56
CDK2 P24941 2/20 0.56
JAK2 O60674 1/20 0.56
PTK2B Q14289 1/20 0.56
ZAP70 P43403 12/20 0.56
PRKD3 O94806 4/20 0.56
PRKCG P05129 4/20 0.56
PRKCB P05771 4/20 0.56
LCK P06239 4/20 0.56
PRKCA P17252 4/20 0.56
PRKCH P24723 4/20 0.56
PRKCI P41743 4/20 0.56
PRKCE Q02156 4/20 0.56
PRKCQ Q04759 4/20 0.56
PRKCZ Q05513 4/20 0.56
PRKCD Q05655 4/20 0.56
PRKD1 Q15139 4/20 0.56

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
SCHEMBL6982097 0.91 ZAP70 (0.56) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6982104 0.88 IGF1R (0.60) EGFRCDK2IGF1R
SCHEMBL6957546 0.81 ZAP70 (0.71) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6969186 0.81 CDK2 (0.67) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6971022 0.81 CDK2 (0.70) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6977338 0.80 CDK2 (0.65) EGFRPIK3CAPIK3CBPIK3CGCDK2
Dimethylamine SCHEMBL6977342 0.79 CDK2 (0.67) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL4732945 0.79 PIK3CA (0.80) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6980595 0.78 CDK2 (0.66) EGFRPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL6970247 0.78 CDK2 (0.66) EGFRPIK3CAPIK3CBPIK3CGCDK2

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