SCHEMBL6974224

SCHEMBL6974224

COc1cc(Nc2nccc(-c3ccc(NCCCN4CCN(C)CC4)nc3)n2)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.70
LCK P06239 5/20 0.70
PRKD3 O94806 4/20 0.70
PRKCG P05129 4/20 0.70
PRKCB P05771 4/20 0.70
PRKCA P17252 4/20 0.70
PRKCH P24723 4/20 0.70
PRKCI P41743 4/20 0.70
PRKCE Q02156 4/20 0.70
PRKCQ Q04759 4/20 0.70
PRKCZ Q05513 4/20 0.70
PRKCD Q05655 4/20 0.70
PRKD1 Q15139 4/20 0.70
EGFR P00533 3/20 0.70
JAK2 O60674 2/20 0.52
CDK2 P24941 2/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
PTK2B Q14289 1/20 0.52

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
SCHEMBL6973824 0.92 ZAP70 (0.68) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6974347 0.89 ZAP70 (0.74) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6975686 0.85 ZAP70 (0.89) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6981299 0.85 ZAP70 (0.79) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6976832 0.84 ZAP70 (0.78) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6970246 0.84 ZAP70 (0.87) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6975402 0.83 ZAP70 (0.82) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL1554933 0.83 ZAP70 (1.00) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6975758 0.82 ZAP70 (0.75) ZAP70LCKPRKD3PRKCGPRKCB
SCHEMBL6974718 0.82 ZAP70 (0.74) ZAP70LCKPRKD3PRKCGPRKCB

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