SCHEMBL14445603

SCHEMBL14445603

C1=Cc2nc1c(-c1ccncc1)c1ccc([nH]1)c(-c1cccnc1)c1nc(c(-c3cccnc3)c3ccc([nH]3)c2-c2cccnc2)C=C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.62
▸ TERT O14746 4/20 0.49
▸ CYCS P99999 3/20 0.46
▸ ENPP2 Q13822 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ NQO2 P16083 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41

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
SCHEMBL185112 0.94 TERT (0.54) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL29501072 0.94 TERT (0.54) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL29021355 0.92 TERT (0.52) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL30385992 0.92 TERT (0.52) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL2423305 0.92 TERT (0.52) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL21808804 0.92 TERT (0.52) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL7246924 0.91 TOP1 (0.53) TOP1TERTCYCSENPP2CYP19A1
SCHEMBL4410144 0.87 TOP1 (0.69) TOP1TERTCYCSENPP2STAT3
SCHEMBL4407506 0.87 TOP1 (0.69) TOP1TERTCYCSENPP2STAT3
SCHEMBL29883623 0.87 TOP1 (0.69) TOP1TERTCYCSENPP2STAT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7245851-B2 Electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2007-07-17 — — US disclosed
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