SCHEMBL6955679

SCHEMBL6955679

FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.63
ABL1 P00519 4/20 0.63
BCR P11274 4/20 0.63
ZAP70 P43403 9/20 0.59
EGFR P00533 3/20 0.59
PRKCD Q05655 3/20 0.59
PRKD3 O94806 1/20 0.59
PRKCG P05129 1/20 0.59
PRKCB P05771 1/20 0.59
LCK P06239 1/20 0.59
PRKCH P24723 1/20 0.59
PRKCI P41743 1/20 0.59
PRKCE Q02156 1/20 0.59
PRKCQ Q04759 1/20 0.59
PRKCZ Q05513 1/20 0.59
PRKD1 Q15139 1/20 0.59
CSNK2A1 P68400 1/20 0.55
SRC P12931 2/20 0.53
PRKACA P17612 2/20 0.53
PRKACG P22612 2/20 0.53

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
SCHEMBL6956430 0.92 ZAP70 (0.61) PRKCAABL1BCRZAP70EGFR
SCHEMBL8306459 0.88 ZAP70 (0.56) PRKCAABL1BCRZAP70EGFR
SCHEMBL6947682 0.86 ZAP70 (0.72) PRKCAZAP70EGFRPRKCDPRKD3
SCHEMBL6957800 0.84 ZAP70 (0.66) PRKCAZAP70EGFRPRKCDPRKD3
SCHEMBL6952344 0.81 ZAP70 (0.62) PRKCAZAP70EGFRPRKCDPRKD3
SCHEMBL8837870 0.81 ABL1 (0.60) PRKCAABL1BCREGFRPRKCD
SCHEMBL8837810 0.81 PRKCA (0.80) PRKCAABL1BCREGFRPRKCD
SCHEMBL6947468 0.81 CAMK2D (0.72) PRKCAABL1BCRZAP70EGFR
SCHEMBL6952728 0.81 ZAP70 (0.65) PRKCAZAP70EGFRPRKCDPRKD3
SCHEMBL6955195 0.81 ZAP70 (0.67) PRKCAABL1BCRZAP70EGFR

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