SCHEMBL6185849

SCHEMBL6185849

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.60
CDK1 P06493 9/20 0.60
ABL1 P00519 9/20 0.60
PRKCA P17252 7/20 0.60
SRC P12931 7/20 0.59
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
ABL2 P42684 1/20 0.44

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
SCHEMBL6190152 0.94 EGFR (0.65) EGFRCDK1ABL1PRKCASRC
SCHEMBL8581909 0.93 EGFR (0.60) EGFRCDK1ABL1PRKCASRC
SCHEMBL6189215 0.90 EGFR (0.64) EGFRCDK1ABL1PRKCASRC
SCHEMBL8577275 0.88 EGFR (0.63) EGFRCDK1ABL1PRKCASRC
SCHEMBL6186191 0.87 EGFR (0.67) EGFRCDK1ABL1PRKCASRC
SCHEMBL8122065 0.86 EGFR (0.66) EGFRCDK1ABL1PRKCASRC
SCHEMBL6188768 0.86 EGFR (0.63) EGFRCDK1ABL1PRKCASRC
SCHEMBL6190120 0.84 EGFR (0.62) EGFRCDK1ABL1PRKCASRC
SCHEMBL6184979 0.84 EGFR (0.62) EGFRCDK1ABL1PRKCASRC
SCHEMBL8577296 0.84 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 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