SCHEMBL6033329

SCHEMBL6033329

N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CCCC5)c3)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ROCK2 O75116 13/20 0.48
▸ CDC7 O00311 2/20 0.48
▸ DAPK3 O43293 2/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ CSNK1A1 P48729 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ CDK7 P50613 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ PRKX P51817 2/20 0.48
▸ CDK5 Q00535 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ MELK Q14680 2/20 0.48
▸ HIPK2 Q9H2X6 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ STK17A Q9UEE5 2/20 0.48

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
SCHEMBL2728843 0.89 ROCK2 (0.62) ROCK2NPC1RAB9A
SCHEMBL2727161 0.88 ROCK2 (0.61) ROCK2
SCHEMBL6033381 0.88 ROCK2 (0.61) ROCK2
SCHEMBL2727159 0.88 ROCK2 (0.61) ROCK2
SCHEMBL2725363 0.87 ROCK2 (0.58) ROCK2
SCHEMBL2725360 0.87 ROCK2 (0.58) ROCK2
SCHEMBL2727210 0.86 ROCK2 (0.63) ROCK2
SCHEMBL2727209 0.86 ROCK2 (0.63) ROCK2
SCHEMBL2729740 0.85 ROCK2 (0.55) ROCK2CDC7DAPK3PAK4CDK2
SCHEMBL2729742 0.85 ROCK2 (0.57) ROCK2

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-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
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