SCHEMBL6944958

SCHEMBL6944958

Clc1cc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)cc(Cl)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.69
PRKD3 O94806 2/20 0.69
PRKCG P05129 2/20 0.69
PRKCB P05771 2/20 0.69
LCK P06239 2/20 0.69
PRKCA P17252 2/20 0.69
PRKCH P24723 2/20 0.69
PRKCI P41743 2/20 0.69
PRKCE Q02156 2/20 0.69
PRKCQ Q04759 2/20 0.69
PRKCZ Q05513 2/20 0.69
PRKCD Q05655 2/20 0.69
PRKD1 Q15139 2/20 0.69
EGFR P00533 1/20 0.69
MYLK4 Q86YV6 2/20 0.58
STK17A Q9UEE5 2/20 0.58
CLK4 Q9HAZ1 1/20 0.58
TBK1 Q9UHD2 1/20 0.58
IKBKB O14920 6/20 0.52
CHUK O15111 5/20 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
SCHEMBL6957131 0.88 ZAP70 (0.62) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6955286 0.87 ZAP70 (0.66) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6947468 0.86 CAMK2D (0.72) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6952657 0.85 ZAP70 (0.69) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6952360 0.85 ZAP70 (0.68) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6950873 0.84 ZAP70 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6951420 0.83 ZAP70 (0.66) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6950853 0.83 ZAP70 (0.66) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957800 0.82 ZAP70 (0.66) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6956423 0.82 ZAP70 (0.68) 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