SCHEMBL29672455

SCHEMBL29672455

CS(=O)(=O)NCCOc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ ROCK2 O75116 10/20 0.41
▸ ROCK1 Q13464 7/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ GSK3B P49841 3/20 0.39
▸ PRKG1 Q13976 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ PRKD3 O94806 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
SCHEMBL21198160 1.00 MEN1 (0.41) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL24610341 0.88 TNIK (0.45) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217751 0.86 ROCK2 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21198538 0.85 ROCK2 (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217894 0.85 MEN1 (0.41) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL24094324 0.85 TNIK (0.43) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL22966855 0.85 MEN1 (0.51) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL22966729 0.85 TNIK (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217815 0.85 ROCK2 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21217532 0.84 TNIK (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1

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
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
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