SCHEMBL7002242

SCHEMBL7002242

Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.53
PRSS1 P07477 2/20 0.53
KLKB1 P03952 2/20 0.40
MAP4K1 Q92918 1/20 0.40
PIK3CD O00329 1/20 0.39

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
Hydrochloric Acid SCHEMBL7992460 0.99 F2 (0.52) F2PRSS1KLKB1MAP4K1PIK3CD
SCHEMBL7298438 0.88 F2 (0.66) F2PRSS1
Hydrochloric Acid SCHEMBL7978194 0.87 F2 (0.65) F2PRSS1
SCHEMBL7001605 0.87 F2 (0.54) F2PRSS1PIK3CD
Hydrochloric Acid SCHEMBL7992275 0.86 F2 (0.54) F2PRSS1PIK3CD
SCHEMBL6999388 0.84 F2 (0.49) F2PRSS1KLKB1
Hydrochloric Acid SCHEMBL7978078 0.84 F2 (0.49) F2PRSS1KLKB1
SCHEMBL7002402 0.82 F2 (0.54) F2PRSS1
SCHEMBL6739800 0.82 F2 (0.49) F2PRSS1
Hydrochloric Acid SCHEMBL7989097 0.82 F2 (0.54) F2PRSS1

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-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed