SCHEMBL6189892

SCHEMBL6189892

O=C(NCCCCNc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.66
ABL1 P00519 7/20 0.66
CDK1 P06493 5/20 0.66
PRKCA P17252 3/20 0.66
SRC P12931 3/20 0.62
BTK Q06187 3/20 0.55
ERBB2 P04626 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX1 P07099 3/20 0.48
ABL2 P42684 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6185159 0.99 EGFR (0.65) EGFRABL1CDK1PRKCASRC
SCHEMBL7787144 0.95 EGFR (0.67) EGFRABL1CDK1PRKCASRC
SCHEMBL6186105 0.92 EGFR (0.65) EGFRABL1CDK1PRKCASRC
SCHEMBL6185339 0.91 EGFR (0.62) EGFRABL1CDK1PRKCASRC
SCHEMBL6187779 0.89 EGFR (0.62) EGFRABL1CDK1PRKCASRC
SCHEMBL6187645 0.89 EGFR (0.66) EGFRABL1CDK1PRKCASRC
SCHEMBL6191961 0.88 EGFR (0.65) EGFRABL1CDK1PRKCASRC
SCHEMBL6187400 0.88 EGFR (0.61) EGFRABL1CDK1PRKCASRC
SCHEMBL6187847 0.88 EGFR (0.65) EGFRABL1CDK1PRKCASRC
SCHEMBL6187292 0.87 EGFR (0.64) EGFRABL1CDK1PRKCASRC

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