SCHEMBL7267103

SCHEMBL7267103

O=C(O)c1cccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.62
ABL1 P00519 3/20 0.62
BCR P11274 3/20 0.62
ZAP70 P43403 7/20 0.61
PRKD3 O94806 2/20 0.61
PRKCG P05129 2/20 0.61
PRKCB P05771 2/20 0.61
PRKCH P24723 2/20 0.61
PRKCI P41743 2/20 0.61
PRKCE Q02156 2/20 0.61
PRKCQ Q04759 2/20 0.61
PRKCZ Q05513 2/20 0.61
PRKCD Q05655 2/20 0.61
PRKD1 Q15139 2/20 0.61
EGFR P00533 1/20 0.61
LCK P06239 1/20 0.61
MAPK8 P45983 1/20 0.54
PIK3CG P48736 1/20 0.54
GSK3B P49841 1/20 0.54
CAMKK2 Q96RR4 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
SCHEMBL6952360 0.87 ZAP70 (0.68) PRKCAABL1ZAP70PRKD3PRKCG
SCHEMBL6957800 0.86 ZAP70 (0.66) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL6952728 0.85 ZAP70 (0.65) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL6955195 0.85 ZAP70 (0.67) PRKCAABL1BCRZAP70PRKD3
SCHEMBL6947468 0.85 CAMK2D (0.72) PRKCAABL1BCRZAP70PRKD3
SCHEMBL6955868 0.85 ZAP70 (0.61) PRKCAABL1BCRZAP70PRKD3
Dimethylamine SCHEMBL7267011 0.84 ZAP70 (0.68) PRKCAABL1ZAP70PRKD3PRKCG
SCHEMBL6947682 0.83 ZAP70 (0.72) PRKCAZAP70PRKD3PRKCGPRKCB
SCHEMBL6952361 0.82 PRKCA (0.63) PRKCAABL1BCRZAP70PRKD3
SCHEMBL6950853 0.81 ZAP70 (0.66) PRKCAZAP70PRKD3PRKCGPRKCB

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 4 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
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