SCHEMBL6188580

SCHEMBL6188580

O=C(NCCNc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.56
CDK1 P06493 6/20 0.56
SRC P12931 6/20 0.56
ABL1 P00519 7/20 0.55
PRKCA P17252 4/20 0.55
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
ABL2 P42684 1/20 0.42
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL6192028 0.93 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187773 0.90 EGFR (0.62) EGFRCDK1SRCABL1PRKCA
SCHEMBL6190406 0.89 EGFR (0.67) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188961 0.85 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187645 0.84 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6191961 0.84 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186042 0.83 EGFR (0.67) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186774 0.82 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186105 0.81 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187579 0.81 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