SCHEMBL5733563

SCHEMBL5733563

COc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.72
CAMK2D Q13557 6/20 0.65
ABL1 P00519 1/20 0.63
BCR P11274 1/20 0.63
PRKCA P17252 1/20 0.63
PRKCD Q05655 1/20 0.63
PIK3CG P48736 6/20 0.60
PIK3CA P42336 5/20 0.60
PIK3CB P42338 5/20 0.60
PLK1 P53350 1/20 0.60
CSNK2A1 P68400 1/20 0.60
CDK2 P24941 3/20 0.58
CDK1 P06493 2/20 0.58
SMG1 Q96Q15 2/20 0.58
CDK4 P11802 2/20 0.58
CDK5 Q00535 2/20 0.58
NPC1 O15118 1/20 0.58
CCNT1 O60563 1/20 0.58
CCNB1 P14635 1/20 0.58
XBP1 P17861 1/20 0.58

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
SCHEMBL27115445 0.88 PIK3CG (0.66) MAPTCAMK2DABL1BCRPIK3CG
SCHEMBL27115896 0.87 PIK3CG (0.76) MAPTCAMK2DABL1BCRPRKCA
SCHEMBL27116600 0.86 ABL1 (0.57) MAPTCAMK2DABL1BCRPRKCA
SCHEMBL27116528 0.86 PIK3CG (0.64) MAPTCAMK2DABL1BCRPIK3CG
SCHEMBL27116597 0.86 PIK3CG (0.73) MAPTCAMK2DABL1BCRPRKCA
SCHEMBL2328157 0.84 CAMK2D (0.70) MAPTCAMK2DABL1BCRPRKCA
SCHEMBL27115339 0.84 PIK3CG (0.55) MAPTABL1BCRPIK3CGPIK3CA
SCHEMBL3513778 0.84 CAMK2D (0.73) MAPTCAMK2DABL1BCRPRKCA
SCHEMBL27115892 0.83 ABL1 (0.59) MAPTABL1BCRPRKCAPRKCD
SCHEMBL5733933 0.83 CAMK2D (0.71) MAPTCAMK2DABL1BCRPRKCA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP claimed
EP-0672042-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009851-A1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN disclosed
EP-0672042-B1 PHARMACOLOGICALLY ACTIVE PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2006-05-03 EP disclosed
US-5705502-A Pharmacologically active pyrimidineamine derivatives and processes for the preparation thereof NOVARTIS CORPORATION (US) 1998-01-06 US disclosed