SCHEMBL6188550

SCHEMBL6188550

O=C(Nc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
CDK1 P06493 10/20 0.62
SRC P12931 9/20 0.62
ABL1 P00519 14/20 0.61
PRKCA P17252 7/20 0.61
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
ABL2 P42684 2/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL6188524 0.87 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL8121174 0.87 EGFR (0.52) EGFRCDK1SRCABL1PRKCA
SCHEMBL8122167 0.87 EGFR (0.52) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187995 0.84 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189468 0.83 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188036 0.82 EGFR (0.64) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115748 0.81 EGFR (0.77) EGFRCDK1SRCABL1PRKCA
SCHEMBL6190220 0.80 EGFR (0.57) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187901 0.80 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186561 0.80 EGFR (0.74) 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