SCHEMBL7182072

SCHEMBL7182072

N#Cc1cnc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.57
TNKS2 Q9H2K2 2/20 0.57
PRKDC P78527 1/20 0.43
JAK2 O60674 6/20 0.42
JAK3 P52333 6/20 0.42
JAK1 P23458 5/20 0.42
AKT1 P31749 1/20 0.42
TPH1 P17752 1/20 0.39
TPH2 Q8IWU9 1/20 0.39
TYK2 P29597 1/20 0.39
OPRM1 P35372 1/20 0.39
PGR P06401 3/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL7182076 1.00 TNKS (0.57) TNKSTNKS2PRKDCJAK2JAK3
SCHEMBL16456358 0.88 TNKS (0.60) TNKSTNKS2JAK2JAK3JAK1
SCHEMBL7191729 0.84 TNKS (0.54) TNKSTNKS2PRKDCJAK2JAK3
SCHEMBL7191736 0.84 TNKS (0.54) TNKSTNKS2PRKDCJAK2JAK3
SCHEMBL7185342 0.78 TNKS (0.59) TNKSTNKS2OPRM1PGR
SCHEMBL7185339 0.78 TNKS (0.59) TNKSTNKS2OPRM1PGR
SCHEMBL7190967 0.75 PRKDC (0.49) TNKSTNKS2PRKDCJAK2JAK3
SCHEMBL7190974 0.75 PRKDC (0.49) TNKSTNKS2PRKDCJAK2JAK3
SCHEMBL16455985 0.74 JAK2 (0.49) TNKSTNKS2PRKDCJAK2JAK3
SCHEMBL28514019 0.74 JAK2 (0.47) TNKSTNKS2PRKDCJAK2JAK3

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed