SCHEMBL6188901

SCHEMBL6188901

NCC(=O)NCCCCNc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.64
CDK1 P06493 11/20 0.64
SRC P12931 11/20 0.64
ABL1 P00519 16/20 0.63
PRKCA P17252 9/20 0.63
ABL2 P42684 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 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
SCHEMBL6189012 0.99 EGFR (0.63) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187579 0.95 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187847 0.89 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187292 0.89 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187779 0.87 EGFR (0.62) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189892 0.87 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187645 0.87 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189838 0.86 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186807 0.86 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187400 0.86 EGFR (0.61) 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