SCHEMBL24610411

SCHEMBL24610411

O=C(COC1=CC=C(c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)CC1)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.49
▸ ROCK1 Q13464 12/20 0.49
▸ SMYD3 Q9H7B4 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL21217529 0.97 ROCK2 (0.51) ROCK2ROCK1SMYD3SYKPOLB
SCHEMBL24610385 0.97 ROCK2 (0.49) ROCK2ROCK1SMYD3SYKPOLB
SCHEMBL21217790 0.92 ROCK2 (0.53) ROCK2ROCK1SMYD3SYKMEN1
SCHEMBL24094396 0.92 ROCK2 (0.53) ROCK2ROCK1SMYD3SYKMEN1
SCHEMBL21217793 0.92 ROCK2 (0.43) ROCK2ROCK1SYK
SCHEMBL24610384 0.89 ROCK2 (0.47) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL24094285 0.87 NPC1 (0.40) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL24610388 0.87 ROCK1 (0.50) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL21217816 0.86 MEN1 (0.40) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL24094323 0.85 ROCK2 (0.48) ROCK2ROCK1MEN1KMT2ANPC1

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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