SCHEMBL13618942

SCHEMBL13618942

CNc1ccc2nc(C)[nH]c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PARP1 P09874 2/20 0.56
▸ TNKS2 Q9H2K2 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ IP6K1 Q92551 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PARG Q86W56 1/20 0.50
▸ ACVR1 Q04771 2/20 0.48
▸ TYMS P04818 6/20 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
SCHEMBL13030213 0.82 KDM4E (0.54) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL7263029 0.80 KDM4E (0.66) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL29535139 0.80 KDM4E (0.66) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL18020459 0.78 IP6K1 (0.52) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL16232298 0.77 KDM4E (0.59) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL27812566 0.77 KDM4E (0.55) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL31463101 0.77 TYMS (0.72) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL5313776 0.77 TYMS (0.72) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL6014177 0.77 TYMS (0.72) KDM4EHSD17B10LMNAPARP1TNKS2
SCHEMBL29900526 0.77 TYMS (0.72) KDM4EHSD17B10LMNAPARP1TNKS2

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
WO-2009143049-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2009-11-26 — — WO disclosed
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