SCHEMBL21217863

SCHEMBL21217863

CC(C)NC(=O)NCCOC1=CC=C(c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 9/20 0.40
▸ ROCK2 O75116 19/20 0.40
▸ CLK2 P49760 1/20 0.37
▸ BLK P51451 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ STK3 Q13188 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ STK17A Q9UEE5 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
SCHEMBL21217528 0.92 ROCK1 (0.37) ROCK1ROCK2
SCHEMBL24094099 0.90 ROCK2 (0.42) ROCK1ROCK2CLK2CSNK2A1DYRK1A
SCHEMBL21217850 0.89 ROCK2 (0.38) ROCK1ROCK2
SCHEMBL21217534 0.89 ROCK1 (0.45) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610388 0.88 ROCK1 (0.50) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL21217824 0.87 ROCK2 (0.44) ROCK1ROCK2
SCHEMBL21217818 0.87 MKNK1 (0.40) ROCK1ROCK2
SCHEMBL24094323 0.85 ROCK2 (0.48) ROCK1ROCK2
SCHEMBL24094335 0.84 ROCK2 (0.38) ROCK1ROCK2CLK4
SCHEMBL21217774 0.84 CACNA2D1 (0.37) ROCK1ROCK2CLK2DYRK1ACLK4

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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