SCHEMBL6187701

SCHEMBL6187701

CC(=O)N1CCN(c2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.51
CDK1 P06493 9/20 0.51
SRC P12931 9/20 0.51
ABL1 P00519 14/20 0.50
PRKCA P17252 8/20 0.50
ABL2 P42684 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PIK3CD O00329 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL6189653 0.90 EGFR (0.51) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186914 0.90 EGFR (0.48) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187529 0.89 EGFR (0.53) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188933 0.87 MKNK1 (0.57) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189380 0.86 EGFR (0.47) EGFRCDK1SRCABL1PRKCA
Hydrochloric Acid SCHEMBL6190351 0.84 EGFR (0.56) EGFRCDK1SRCABL1PRKCA
SCHEMBL6184740 0.83 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115748 0.75 EGFR (0.77) EGFRCDK1SRCABL1PRKCA
SCHEMBL8122758 0.75 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL4935748 0.74 EGFR (0.65) EGFRCDK1SRCABL1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed