SCHEMBL6186563

SCHEMBL6186563

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.70
CDK1 P06493 11/20 0.70
SRC P12931 10/20 0.70
ABL1 P00519 15/20 0.66
PRKCA P17252 9/20 0.66
ABL2 P42684 2/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CFD P00746 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
SCHEMBL8577283 0.91 EGFR (0.68) EGFRCDK1SRCABL1PRKCA
SCHEMBL6184839 0.90 EGFR (0.72) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188768 0.90 EGFR (0.63) EGFRCDK1SRCABL1PRKCA
SCHEMBL8125545 0.89 EGFR (0.71) EGFRCDK1SRCABL1PRKCA
SCHEMBL6190152 0.89 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186710 0.86 EGFR (0.72) EGFRCDK1SRCABL1PRKCA
SCHEMBL6191605 0.86 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187579 0.85 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL8577275 0.85 EGFR (0.63) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188901 0.85 EGFR (0.64) 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 3 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
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