SCHEMBL6184887

SCHEMBL6184887

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.55
CDK1 P06493 8/20 0.55
ABL1 P00519 5/20 0.53
PRKCA P17252 4/20 0.53
SRC P12931 5/20 0.52
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
CCNB2 O95067 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL6187261 0.95 EGFR (0.56) EGFRCDK1ABL1PRKCASRC
SCHEMBL6186002 0.91 EGFR (0.61) EGFRCDK1ABL1PRKCASRC
Water SCHEMBL8114880 0.90 EGFR (0.60) EGFRCDK1ABL1PRKCASRC
SCHEMBL6188390 0.87 EGFR (0.57) EGFRCDK1ABL1PRKCASRC
SCHEMBL8579739 0.86 EGFR (0.69) EGFRCDK1ABL1PRKCASRC
SCHEMBL6187136 0.85 EGFR (0.61) EGFRCDK1ABL1PRKCASRC
SCHEMBL6186182 0.85 EGFR (0.64) EGFRCDK1ABL1PRKCASRC
SCHEMBL8124691 0.83 CDK1 (0.76) EGFRCDK1ABL1PRKCASRC
SCHEMBL8122065 0.82 EGFR (0.66) EGFRCDK1ABL1PRKCASRC
SCHEMBL8578273 0.82 EGFR (0.70) EGFRCDK1ABL1PRKCASRC

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