SCHEMBL21217907

SCHEMBL21217907

CC(C)NC(=O)CN1C=C(c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 10/20 0.44
▸ ROCK2 O75116 16/20 0.43
▸ CLK2 P49760 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ NPY1R P25929 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ PDE9A O76083 1/20 0.37

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
SCHEMBL24094338 0.92 ROCK1 (0.41) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610420 0.83 ROCK1 (0.45) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610388 0.80 ROCK1 (0.50) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610234 0.80 ROCK1 (0.43) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610393 0.79 ROCK2 (0.43) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL22966832 0.79 ROCK1 (0.47) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL22966739 0.79 ROCK1 (0.47) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL21217534 0.78 ROCK1 (0.45) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL21217627 0.76 ROCK1 (0.41) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610308 0.75 ROCK1 (0.43) ROCK1ROCK2CLK2BLKCSNK2A1

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 4 patents. 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
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — WO disclosed
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