SCHEMBL6185513

SCHEMBL6185513

CC(C)(C)OC(=O)NCC(=O)NCc1cccc(Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.59
CDK1 P06493 7/20 0.59
SRC P12931 5/20 0.59
ABL1 P00519 7/20 0.57
PRKCA P17252 4/20 0.56
AURKB Q96GD4 3/20 0.46
RAF1 P04049 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAP2K1 Q02750 1/20 0.46
BRD4 O60885 2/20 0.46
AURKA O14965 2/20 0.45
RPS6KB1 P23443 2/20 0.45
MKNK1 Q9BUB5 1/20 0.42
ABL2 P42684 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 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
SCHEMBL6188390 0.94 EGFR (0.57) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186182 0.94 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL8578273 0.89 EGFR (0.70) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186002 0.88 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188882 0.88 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
Water SCHEMBL8114880 0.88 EGFR (0.60) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187695 0.87 EGFR (0.55) EGFRCDK1SRCABL1PRKCA
SCHEMBL8579739 0.87 EGFR (0.69) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187261 0.87 EGFR (0.56) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187365 0.86 EGFR (0.54) 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