SCHEMBL6185675

SCHEMBL6185675

CC(C)(C)OC(=O)NCCCCNc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.59
ABL1 P00519 10/20 0.59
CDK1 P06493 8/20 0.59
SRC P12931 9/20 0.59
PRKCA P17252 7/20 0.58
ABL2 P42684 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6188950 0.99 EGFR (0.58) EGFRABL1CDK1SRCPRKCA
SCHEMBL6185571 0.96 EGFR (0.60) EGFRABL1CDK1SRCPRKCA
SCHEMBL6187695 0.94 EGFR (0.55) EGFRABL1CDK1SRCPRKCA
SCHEMBL6187365 0.94 EGFR (0.54) EGFRABL1CDK1SRCPRKCA
SCHEMBL6188882 0.90 EGFR (0.55) EGFRABL1CDK1SRCPRKCA
SCHEMBL8579739 0.89 EGFR (0.69) EGFRABL1CDK1SRCPRKCA
SCHEMBL8578273 0.88 EGFR (0.70) EGFRABL1CDK1SRCPRKCA
SCHEMBL6187847 0.87 EGFR (0.65) EGFRABL1CDK1SRCPRKCA
SCHEMBL6187292 0.86 EGFR (0.64) EGFRABL1CDK1SRCPRKCA
SCHEMBL6186182 0.86 EGFR (0.64) EGFRABL1CDK1SRCPRKCA

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