SCHEMBL17177104

SCHEMBL17177104

c1cc(OCCN2CCCCCC2)cc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.71
▸ ROCK1 Q13464 13/20 0.65
▸ PLK4 O00444 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ PRKCG P05129 1/20 0.54
▸ PHKG2 P15735 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ AKT2 P31751 1/20 0.54
▸ MAP2K2 P36507 1/20 0.54
▸ PRKCI P41743 1/20 0.54
▸ MAPKAPK2 P49137 1/20 0.54
▸ CSNK2A1 P68400 1/20 0.54
▸ PRKCQ Q04759 1/20 0.54
▸ ACVR1 Q04771 1/20 0.54
▸ MST1R Q04912 1/20 0.54
▸ PRKCD Q05655 1/20 0.54
▸ MAP4K2 Q12851 1/20 0.54
▸ PRKAA1 Q13131 1/20 0.54

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
SCHEMBL24862397 0.92 ROCK2 (0.70) ROCK2ROCK1PLK4PRKD3CHEK2
SCHEMBL15639004 0.92 ROCK2 (0.74) ROCK2ROCK1PRKCQ
SCHEMBL15639461 0.84 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL15639826 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17041146 0.82 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL17041171 0.82 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL15639136 0.81 KDR (0.73) ROCK2ROCK1
SCHEMBL17040602 0.81 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL15639264 0.81 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL32670264 0.81 ROCK2 (0.74) ROCK2ROCK1

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-2015157556-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC (US) 2015-10-15 — — WO disclosed
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