SCHEMBL6185630

SCHEMBL6185630

O=C(Nc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
CCR2 P41597 1/20 0.54
NPC1 O15118 8/20 0.53
MAOB P27338 1/20 0.53
EGFR P00533 5/20 0.52
CDK1 P06493 4/20 0.52
SRC P12931 1/20 0.52
ABL1 P00519 2/20 0.52
PRKCA P17252 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL4560834 0.85 EGFR (0.57) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187995 0.84 EGFR (0.66) RAB9ANPC1EGFRCDK1SRC
SCHEMBL8123474 0.81 EGFR (0.74) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189468 0.79 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188550 0.79 EGFR (0.62) EGFRCDK1SRCABL1PRKCA
SCHEMBL6188036 0.79 EGFR (0.64) RAB9ANPC1EGFRCDK1SRC
SCHEMBL5782958 0.77 RAB9A (0.85) RAB9ACCR2NPC1MAOBSMN1; SMN2
SCHEMBL8115748 0.77 EGFR (0.77) EGFRCDK1SRCABL1PRKCA
SCHEMBL6190220 0.77 EGFR (0.57) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187901 0.76 EGFR (0.61) 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 2 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