SCHEMBL6187136

SCHEMBL6187136

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.61
CDK1 P06493 10/20 0.61
ABL1 P00519 9/20 0.61
PRKCA P17252 7/20 0.61
SRC P12931 7/20 0.60
CCNB2 O95067 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45
ABL2 P42684 2/20 0.45

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
SCHEMBL6191605 0.94 EGFR (0.66) EGFRCDK1ABL1PRKCASRC
SCHEMBL8122065 0.89 EGFR (0.66) EGFRCDK1ABL1PRKCASRC
SCHEMBL6186191 0.88 EGFR (0.67) EGFRCDK1ABL1PRKCASRC
SCHEMBL8577275 0.87 EGFR (0.63) EGFRCDK1ABL1PRKCASRC
SCHEMBL6190120 0.86 EGFR (0.62) EGFRCDK1ABL1PRKCASRC
SCHEMBL6184979 0.86 EGFR (0.62) EGFRCDK1ABL1PRKCASRC
SCHEMBL6184887 0.85 EGFR (0.55) EGFRCDK1ABL1PRKCASRC
SCHEMBL6188768 0.85 EGFR (0.63) EGFRCDK1ABL1PRKCASRC
SCHEMBL8581909 0.85 EGFR (0.60) EGFRCDK1ABL1PRKCASRC
SCHEMBL8577296 0.85 EGFR (0.68) 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 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