SCHEMBL6187779

SCHEMBL6187779

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.62
CDK1 P06493 8/20 0.62
SRC P12931 8/20 0.62
ABL1 P00519 12/20 0.61
PRKCA P17252 8/20 0.61
ABL2 P42684 2/20 0.48
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
EPHX1 P07099 3/20 0.46
ERBB2 P04626 1/20 0.45

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
SCHEMBL6187400 0.99 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189114 0.95 EGFR (0.63) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187847 0.90 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189892 0.89 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187292 0.89 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL6185159 0.88 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188901 0.87 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188074 0.86 EGFR (0.71) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189012 0.86 EGFR (0.63) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189636 0.86 EPHX1 (0.60) 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