SCHEMBL7433148

SCHEMBL7433148

CC(=O)NC(CN)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.52
AKT1 P31749 2/20 0.52
GSK3B P49841 2/20 0.52
NEK4 P51957 2/20 0.52
PRKCD Q05655 2/20 0.52
PRKG2 Q13237 2/20 0.52
ROCK1 Q13464 2/20 0.52
PRKG1 Q13976 2/20 0.52
PKN2 Q16513 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
MAPK13 O15264 1/20 0.52
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
PRKCG P05129 1/20 0.52
CDK1 P06493 1/20 0.52
PIM1 P11309 1/20 0.52
RPS6KB1 P23443 1/20 0.52

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
SCHEMBL5672684 1.00 RPS6KA5 (0.52) RPS6KA5AKT1GSK3BNEK4PRKCD
Hydrochloric Acid SCHEMBL11571121 0.98 RPS6KA5 (0.51) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL115980 0.85 ROCK1 (0.55) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL4598191 0.85 ROCK1 (0.55) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL7455436 0.84 ADORA2A (0.49) RPS6KB1KMT2ALMNASMN1; SMN2
SCHEMBL186238 0.83 LMNA (0.61) KMT2ALMNASMN1; SMN2TACR3
Hydrochloric Acid SCHEMBL7973435 0.83 RPS6KA5 (0.54) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL186416 0.83 LMNA (0.61) KMT2ALMNASMN1; SMN2TACR3
SCHEMBL8582093 0.83 RIPK1 (0.61) RPS6KA5AKT1GSK3BNEK4PRKCD
SCHEMBL607611 0.83 RIPK1 (0.61) RPS6KA5AKT1GSK3BNEK4PRKCD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4709032-A VASODILATION AND HYPOTENSIVE AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 US disclosed
US-4634770-A VASODILATORS, HYPOTENSIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
US-4560755-A VASODILATOR, HYPOTENSOR ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0109023-A1 Isoquinolinesulfonamide derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-05-23 EP disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 EP disclosed