SCHEMBL6957358

SCHEMBL6957358

COc1ccc(Nc2nccc(-c3ccc(Cl)nc3)n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.60
PIK3CA P42336 5/20 0.60
PIK3CB P42338 5/20 0.60
EGFR P00533 3/20 0.60
CDK2 P24941 2/20 0.60
JAK2 O60674 1/20 0.60
PTK2B Q14289 1/20 0.60
ZAP70 P43403 9/20 0.56
PRKCA P17252 4/20 0.56
PRKCD Q05655 4/20 0.56
PRKD3 O94806 3/20 0.56
PRKCG P05129 3/20 0.56
PRKCB P05771 3/20 0.56
LCK P06239 3/20 0.56
PRKCH P24723 3/20 0.56
PRKCI P41743 3/20 0.56
PRKCE Q02156 3/20 0.56
PRKCQ Q04759 3/20 0.56
PRKCZ Q05513 3/20 0.56
PRKD1 Q15139 3/20 0.56

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
SCHEMBL6952024 0.88 EGFR (0.77) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL12921620 0.87 PIK3CA (0.51) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL6955263 0.83 PIK3CG (0.59) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL8151919 0.82 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL12801115 0.82 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL12275494 0.81 PLK1 (0.70) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL1131631 0.81 IGF1R (0.58) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL12801541 0.81 JAK2 (0.56) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL12522350 0.81 IKBKB (0.59) PIK3CGPIK3CAPIK3CBEGFRCDK2
SCHEMBL12274489 0.80 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBEGFRCDK2

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 5 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
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