SCHEMBL6187773

SCHEMBL6187773

Nc1ccc(C(=O)NCCNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
CDK1 P06493 10/20 0.62
SRC P12931 9/20 0.62
ABL1 P00519 14/20 0.61
PRKCA P17252 7/20 0.61
ABL2 P42684 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
ERBB2 P04626 1/20 0.43

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
SCHEMBL6190406 0.94 EGFR (0.67) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188961 0.92 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188580 0.90 EGFR (0.56) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187645 0.89 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6191961 0.88 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186042 0.88 EGFR (0.67) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186774 0.87 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187579 0.86 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186105 0.86 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6192028 0.85 EGFR (0.55) 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