SCHEMBL22306576

SCHEMBL22306576

Cn1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(CCc4ccncc4)c3)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 17/20 0.47
▸ PRKACA P17612 4/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ROCK2 O75116 10/20 0.46
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ SGK1 O00141 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ TNK2 Q07912 1/20 0.43
▸ DMPK Q09013 1/20 0.43
▸ MYLK Q15746 1/20 0.43
▸ CDC42BPA Q5VT25 1/20 0.43

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
SCHEMBL22290647 0.91 PARP1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL31173242 0.91 PARP1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22305346 0.90 MAPT (0.43) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22290324 0.89 SMARCA2 (0.52) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22306758 0.88 ROCK1 (0.44) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22306610 0.87 ROCK1 (0.48) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22306586 0.86 SMARCA2 (0.43) ROCK1PRKACACYP3A4
SCHEMBL22306581 0.86 HDAC4 (0.51) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22305368 0.85 MAPT (0.49) ROCK1ROCK2MAPT
SCHEMBL22971722 0.84 ROCK1 (0.56) ROCK1PRKACACYP3A4ROCK2PARP1

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
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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