SCHEMBL7001605

SCHEMBL7001605

Cc1cc(CNC(=O)[C@@H]2CCc3cnc(NCCc4ccccn4)c(=O)n32)c(C)nc1N

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.54
PRSS1 P07477 2/20 0.54
PIK3CD O00329 1/20 0.44
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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 SCHEMBL7992275 0.99 F2 (0.54) F2PRSS1PIK3CDPRSS2PRSS3
SCHEMBL7298438 0.90 F2 (0.66) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7978194 0.89 F2 (0.65) F2PRSS1PRSS2PRSS3
SCHEMBL7002242 0.87 F2 (0.53) F2PRSS1PIK3CD
Hydrochloric Acid SCHEMBL7992460 0.86 F2 (0.52) F2PRSS1PIK3CD
SCHEMBL6994837 0.84 F2 (0.46) F2PRSS1PRSS2PRSS3
SCHEMBL7002402 0.84 F2 (0.54) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7989423 0.84 F2 (0.45) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7989097 0.83 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL6739800 0.82 F2 (0.49) F2PRSS1PRSS2PRSS3

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