SCHEMBL6980016

SCHEMBL6980016

COc1cc(Nc2nccc(-c3cccc(NC(C)=O)c3)n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.69
PRKCA P17252 3/20 0.68
ZAP70 P43403 3/20 0.68
PRKD3 O94806 2/20 0.68
PRKCG P05129 2/20 0.68
PRKCB P05771 2/20 0.68
LCK P06239 2/20 0.68
PRKCH P24723 2/20 0.68
PRKCI P41743 2/20 0.68
PRKCE Q02156 2/20 0.68
PRKCQ Q04759 2/20 0.68
PRKCZ Q05513 2/20 0.68
PRKCD Q05655 2/20 0.68
PRKD1 Q15139 2/20 0.68
BRAF P15056 4/20 0.66
FYN P06241 1/20 0.61
JAK2 O60674 4/20 0.60
EGFR P00533 3/20 0.60
CDK2 P24941 1/20 0.60
PIK3CA P42336 1/20 0.60

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
SCHEMBL6975909 0.88 JAK2 (0.70) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL4735847 0.87 PLK1 (0.71) PLK1PRKCABRAFFYNJAK2
SCHEMBL3997532 0.86 PRKCA (0.71) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL4733852 0.84 PLK1 (0.84) PLK1PRKCAPRKD3PRKCGPRKCB
SCHEMBL4002022 0.84 PRKCA (0.58) PLK1PRKCAZAP70PRKD3PRKCG
SCHEMBL4733503 0.84 ZAP70 (0.71) PLK1PRKCAZAP70PRKD3PRKCG
SCHEMBL6977138 0.82 ZAP70 (0.73) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL6974310 0.82 ZAP70 (0.80) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL12801096 0.82 JAK2 (0.61) PLK1PRKCAJAK2EGFRPIK3CA
SCHEMBL4736493 0.81 PLK1 (0.83) PLK1PRKCAPRKCDBRAFFYN

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