SCHEMBL24610279

SCHEMBL24610279

C[S+]([O-])NC(=O)COc1ccc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ROCK1 Q13464 11/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ROCK2 O75116 13/20 0.44
▸ TNIK Q9UKE5 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41

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
SCHEMBL21217908 0.87 MEN1 (0.52) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL21217530 0.86 ROCK2 (0.57) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL21217821 0.86 ROCK1 (0.60) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL24094211 0.86 MEN1 (0.52) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL22966855 0.85 MEN1 (0.51) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL21217892 0.84 TNIK (0.41) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL21217909 0.84 ROCK2 (0.56) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL21217523 0.83 ROCK2 (0.58) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL24610282 0.83 ROCK1 (0.49) MEN1KMT2AROCK1NPC1RAB9A
SCHEMBL24094169 0.82 NPC1 (0.55) MEN1KMT2AROCK1NPC1RAB9A

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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