SCHEMBL6187995

SCHEMBL6187995

O=C(Nc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.66
ABL1 P00519 13/20 0.66
CDK1 P06493 9/20 0.66
PRKCA P17252 7/20 0.66
SRC P12931 8/20 0.61
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ABL2 P42684 2/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52

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
SCHEMBL6189468 0.88 EGFR (0.61) EGFRABL1CDK1PRKCASRC
SCHEMBL6190406 0.86 EGFR (0.67) EGFRABL1CDK1PRKCASRC
SCHEMBL6188036 0.86 EGFR (0.64) EGFRABL1CDK1PRKCASRC
SCHEMBL6187645 0.85 EGFR (0.66) EGFRABL1CDK1PRKCASRC
SCHEMBL8115045 0.85 EGFR (0.78) EGFRABL1CDK1PRKCASRC
SCHEMBL8577296 0.85 EGFR (0.68) EGFRABL1CDK1PRKCASRC
SCHEMBL6191961 0.85 EGFR (0.65) EGFRABL1CDK1PRKCASRC
SCHEMBL8115748 0.84 EGFR (0.77) EGFRABL1CDK1PRKCASRC
SCHEMBL6185630 0.84 RAB9A (0.54) EGFRABL1CDK1PRKCASRC
SCHEMBL6188550 0.84 EGFR (0.62) EGFRABL1CDK1PRKCASRC

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