SCHEMBL7813342

SCHEMBL7813342

Cc1cccc(Nc2nccc(-c3ccnc(Cl)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.67
PIK3CG P48736 4/20 0.67
ABL1 P00519 3/20 0.67
BCR P11274 3/20 0.67
PIK3CB P42338 3/20 0.63
CDK2 P24941 3/20 0.61
CDK1 P06493 2/20 0.61
SMG1 Q96Q15 1/20 0.61
SRC P12931 2/20 0.59
ZAP70 P43403 1/20 0.59
SYK P43405 1/20 0.59
CCNB2 O95067 1/20 0.58
RET P07949 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
CAMK2D Q13557 4/20 0.56
PLK1 P53350 1/20 0.54
PRKCA P17252 1/20 0.54
PRKCD Q05655 1/20 0.54
DYRK1A Q13627 1/20 0.54

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
Water SCHEMBL7813855 0.97 PIK3CA (0.65) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL3513778 0.87 CAMK2D (0.73) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL2322043 0.87 PIK3CG (0.70) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL2331086 0.87 PIK3CG (0.70) PIK3CAPIK3CGABL1BCRPIK3CB
Hydrochloric Acid SCHEMBL16496538 0.86 PIK3CG (0.69) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL27115444 0.86 PIK3CA (0.69) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL7467324 0.85 ABL1 (0.76) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL2330123 0.85 PLK1 (0.56) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL2333324 0.84 CDK2 (0.53) PIK3CAPIK3CGABL1BCRPIK3CB
SCHEMBL4892481 0.84 CAMK2D (0.53) PIK3CAPIK3CGABL1BCRPIK3CB

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
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
WO-1999035140-A1 PYRIDINYLPYRIMIDINE AMINES AS IMMUNOGLOBULINE E (IgE) SYNTHESIS INHIBITORS NOVARTIS AG (CH) 1999-07-15 WO disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed