SCHEMBL6947468

SCHEMBL6947468

Clc1cccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.72
ZAP70 P43403 8/20 0.65
PRKCA P17252 2/20 0.65
PRKCD Q05655 2/20 0.65
PRKD3 O94806 1/20 0.65
EGFR P00533 1/20 0.65
PRKCG P05129 1/20 0.65
PRKCB P05771 1/20 0.65
LCK P06239 1/20 0.65
PRKCH P24723 1/20 0.65
PRKCI P41743 1/20 0.65
PRKCE Q02156 1/20 0.65
PRKCQ Q04759 1/20 0.65
PRKCZ Q05513 1/20 0.65
PRKD1 Q15139 1/20 0.65
CDK1 P06493 1/20 0.61
CDK2 P24941 1/20 0.61
SMG1 Q96Q15 1/20 0.61
ABL1 P00519 1/20 0.60
BCR P11274 1/20 0.60

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
3-Chloroaniline SCHEMBL8308008 0.94 CAMK2D (0.68) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6957800 0.89 ZAP70 (0.66) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6955195 0.88 ZAP70 (0.67) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6952728 0.88 ZAP70 (0.65) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6109641 0.88 SMG1 (0.78) CAMK2DPRKCAPRKCDCDK1CDK2
SCHEMBL6955286 0.88 ZAP70 (0.66) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6952360 0.87 ZAP70 (0.68) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6957131 0.86 ZAP70 (0.62) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL6944958 0.86 ZAP70 (0.69) CAMK2DZAP70PRKCAPRKCDPRKD3
SCHEMBL7267103 0.85 PRKCA (0.62) CAMK2DZAP70PRKCAPRKCDPRKD3

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