SCHEMBL7974009

SCHEMBL7974009

O=c1nc(-c2ccccn2)[nH]c2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
CBFB Q13951 2/20 0.41
CNOT7 Q9UIV1 3/20 0.41
PARN O95453 1/20 0.41
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
SCD O00767 1/20 0.38
NPY5R Q15761 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7974054 0.89 EGLN1 (0.44) METAP2METAP1CBFBCNOT7PARN
SCHEMBL7985494 0.88 CNOT7 (0.52) METAP2METAP1CNOT7PARNNPC1
SCHEMBL7992180 0.88 SMN1; SMN2 (0.45) METAP2METAP1CBFBCNOT7PARN
SCHEMBL7991792 0.88 ALDH1A1 (0.44) METAP2METAP1CBFBCNOT7PARN
SCHEMBL7985794 0.86 PARN (0.46) CNOT7PARNROCK2ROCK1GRIN1
SCHEMBL7985461 0.85 TP53 (0.48) ROCK2ROCK1NPY5RNPC1RAB9A
SCHEMBL7991676 0.85 ACP1 (0.43) CNOT7PARNROCK2ROCK1GRIN1
SCHEMBL7988457 0.84 PARN (0.42) CNOT7PARNROCK2ROCK1GRIN1
SCHEMBL7985266 0.84 CNOT7 (0.43) CNOT7PARNROCK2ROCK1GRIN1
SCHEMBL7988644 0.84 GRIN1 (0.42) CNOT7PARNROCK2ROCK1GRIN1

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed