SCHEMBL6977138

SCHEMBL6977138

COc1cccc(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.73
PRKD3 O94806 3/20 0.73
PRKCG P05129 3/20 0.73
PRKCB P05771 3/20 0.73
LCK P06239 3/20 0.73
PRKCA P17252 3/20 0.73
PRKCH P24723 3/20 0.73
PRKCI P41743 3/20 0.73
PRKCE Q02156 3/20 0.73
PRKCQ Q04759 3/20 0.73
PRKCZ Q05513 3/20 0.73
PRKCD Q05655 3/20 0.73
PRKD1 Q15139 3/20 0.73
PIK3CG P48736 5/20 0.67
PIK3CA P42336 4/20 0.67
PIK3CB P42338 4/20 0.67
CDK2 P24941 3/20 0.67
EGFR P00533 3/20 0.67
JAK2 O60674 1/20 0.67
PTK2B Q14289 1/20 0.67

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
SCHEMBL6967588 0.89 ZAP70 (0.65) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6971200 0.89 ZAP70 (0.65) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL12275354 0.88 PIK3CG (0.67) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL8253037 0.88 PIK3CG (0.74) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6974310 0.88 ZAP70 (0.80) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL5618778 0.87 ZAP70 (0.62) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4733503 0.87 ZAP70 (0.71) ZAP70PRKD3PRKCGPRKCBLCK
Ammonia Solution, Strong SCHEMBL5948439 0.87 PIK3CG (0.65) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6976454 0.87 ZAP70 (0.71) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6979699 0.87 ZAP70 (0.71) ZAP70PRKD3PRKCGPRKCBLCK

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