SCHEMBL24094185

SCHEMBL24094185

CC(C)NC(=O)COc1c(F)cc(-c2nnc(Nc3ccc(N)c(C=N)c3)[nH]2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.33
▸ ROCK2 O75116 5/20 0.32
▸ CLK2 P49760 1/20 0.30
▸ BLK P51451 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ STK3 Q13188 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ STK17A Q9UEE5 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24094174 0.85 ROCK1 (0.46) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL24610300 0.81 JAK2 (0.34) ROCK1SMN1; SMN2
SCHEMBL21217628 0.80 ROCK1 (0.53) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL27338759 0.75 SMN1; SMN2 (0.35) ROCK1ROCK2SMN1; SMN2
SCHEMBL22967056 0.74 ADORA2A (0.39) ROCK1ROCK2SMN1; SMN2
SCHEMBL22967060 0.74 ADORA2A (0.41) SMN1; SMN2
SCHEMBL22967237 0.74 CYP1A2 (0.43) ROCK2SMN1; SMN2
SCHEMBL24094286 0.73 IKBKE (0.36) AURKBSMN1; SMN2
SCHEMBL24610309 0.72 IKBKE (0.39) AURKB
SCHEMBL24094162 0.72 CTDSP1 (0.39) SMN1; SMN2

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-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
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