SCHEMBL6955263

SCHEMBL6955263

COc1cc(Nc2nccc(-c3ccc(Cl)nc3)n2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.59
PIK3CA P42336 8/20 0.59
PIK3CB P42338 8/20 0.59
ZAP70 P43403 4/20 0.57
SRC P12931 1/20 0.57
SYK P43405 1/20 0.57
CDK2 P24941 3/20 0.56
EGFR P00533 2/20 0.56
JAK2 O60674 1/20 0.56
PTK2B Q14289 1/20 0.56
GSK3B P49841 2/20 0.53
CDK4 P11802 1/20 0.53
PRKD3 O94806 2/20 0.52
PRKCG P05129 2/20 0.52
PRKCB P05771 2/20 0.52
LCK P06239 2/20 0.52
PRKCA P17252 2/20 0.52
PRKCH P24723 2/20 0.52
PRKCI P41743 2/20 0.52
PRKCE Q02156 2/20 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
SCHEMBL6952024 0.86 EGFR (0.77) PIK3CGPIK3CAPIK3CBZAP70CDK2
SCHEMBL8151919 0.84 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBZAP70CDK2
SCHEMBL6957358 0.83 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBZAP70CDK2
SCHEMBL17153052 0.81 ABL1 (0.53) PIK3CGPIK3CAPIK3CBZAP70SRC
SCHEMBL12921620 0.78 PIK3CA (0.51) PIK3CGPIK3CAPIK3CBZAP70SRC
SCHEMBL3510842 0.78 ABL1 (0.75) PIK3CGPIK3CAPIK3CBSRCCDK2
SCHEMBL17153042 0.78 ABL1 (0.60) PIK3CGPIK3CAPIK3CBZAP70SRC
SCHEMBL6950873 0.77 ZAP70 (0.79) PIK3CGPIK3CAPIK3CBZAP70SRC
SCHEMBL12801643 0.76 CDK5 (0.82) PIK3CGPIK3CAPIK3CBZAP70SRC
SCHEMBL4732715 0.76 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBZAP70SRC

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