SCHEMBL6949301

SCHEMBL6949301

COc1cc(Nc2nccc(-c3ccc(N4CCNC(C)C4)nc3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 1.00
PRKD3 O94806 4/20 0.81
PRKCG P05129 4/20 0.81
PRKCB P05771 4/20 0.81
LCK P06239 4/20 0.81
PRKCA P17252 4/20 0.81
PRKCH P24723 4/20 0.81
PRKCI P41743 4/20 0.81
PRKCE Q02156 4/20 0.81
PRKCQ Q04759 4/20 0.81
PRKCZ Q05513 4/20 0.81
PRKCD Q05655 4/20 0.81
PRKD1 Q15139 4/20 0.81
EGFR P00533 3/20 0.79
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
CDK2 P24941 2/20 0.54
JAK2 O60674 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54

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
SCHEMBL6953643 1.00 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6949313 1.00 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6955071 0.92 ZAP70 (0.85) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956616 0.90 ZAP70 (0.82) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6945041 0.90 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957282 0.90 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6945045 0.90 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957285 0.90 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6951384 0.90 ZAP70 (0.88) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL5619205 0.88 ZAP70 (1.00) 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 7 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 claimed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US claimed
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
EP-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 WO disclosed