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SCHEMBL24094396

SCHEMBL24094396

O=C(COC1=CC=C(c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)CC1)N[C@@H]1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.53
▸ ROCK1 Q13464 13/20 0.53
▸ SYK P43405 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL21217790 1.00 ROCK2 (0.53) ROCK2ROCK1SYKMEN1KMT2A
SCHEMBL24610411 0.92 ROCK2 (0.49) ROCK2ROCK1SYKMEN1KMT2A
SCHEMBL21217529 0.91 ROCK2 (0.51) ROCK2ROCK1SYKPOLBSMYD3
SCHEMBL24610385 0.91 ROCK2 (0.49) ROCK2ROCK1SYKPOLBSMYD3
SCHEMBL21217793 0.87 ROCK2 (0.43) ROCK2ROCK1SYK
SCHEMBL24610384 0.85 ROCK2 (0.47) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL22967219 0.85 ROCK2 (0.61) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL21217861 0.85 ROCK2 (0.61) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL22966751 0.85 ROCK2 (0.61) ROCK2ROCK1MEN1KMT2ANPC1
SCHEMBL24094285 0.83 NPC1 (0.40) 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-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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