SCHEMBL22306758

SCHEMBL22306758

CS(=S)n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(CCc4ccncc4)c3)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 16/20 0.44
▸ PRKACA P17612 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ROCK2 O75116 10/20 0.43
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ SGK1 O00141 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ DMPK Q09013 1/20 0.40
▸ MYLK Q15746 1/20 0.40
▸ CDC42BPA Q5VT25 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL22306576 0.88 ROCK1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22290324 0.85 SMARCA2 (0.52) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22971722 0.81 ROCK1 (0.56) ROCK1PRKACACYP3A4ROCK2PARP1
SCHEMBL31173206 0.79 ROCK1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22291025 0.79 ROCK1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22290647 0.79 PARP1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL31173242 0.79 PARP1 (0.47) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22305346 0.79 MAPT (0.43) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22306372 0.77 PARP1 (0.45) ROCK1PRKACACYP3A4ROCK2MAPT
SCHEMBL22306697 0.77 ROCK1 (0.48) ROCK1PRKACACYP3A4ROCK2MAPT

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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