SCHEMBL6952005

SCHEMBL6952005

COc1cc(Nc2nccc(-c3ccc(N4CCCN(C)CC4)nc3)n2)cc(OC)c1OC

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.93
PRKD3 O94806 4/20 0.75
PRKCG P05129 4/20 0.75
PRKCB P05771 4/20 0.75
LCK P06239 4/20 0.75
PRKCA P17252 4/20 0.75
PRKCH P24723 4/20 0.75
PRKCI P41743 4/20 0.75
PRKCE Q02156 4/20 0.75
PRKCQ Q04759 4/20 0.75
PRKCZ Q05513 4/20 0.75
PRKCD Q05655 4/20 0.75
PRKD1 Q15139 4/20 0.75
EGFR P00533 3/20 0.75
CDK2 P24941 2/20 0.56
JAK2 O60674 1/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
PTK2B Q14289 1/20 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
SCHEMBL6955190 0.96 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL7267056 0.92 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6949520 0.86 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956773 0.86 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957309 0.86 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL5619205 0.86 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956872 0.86 ZAP70 (0.82) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956783 0.86 ZAP70 (0.82) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956788 0.86 ZAP70 (0.82) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6951053 0.84 ZAP70 (0.79) 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
US-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US disclosed
EP-0934304-B1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2003-02-26 EP disclosed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US disclosed