SCHEMBL30554358

SCHEMBL30554358

CC(C)c1cccc([C@@H](C)NC(=O)c2nc3cc4c(-c5ccncc5)n[nH]c4cc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.55
MAPK3 P27361 7/20 0.55
LRRK2 Q5S007 1/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
PRKG1 Q13976 3/20 0.41
RPS6KA5 O75582 2/20 0.41
CDK1 P06493 2/20 0.41
PRKACA P17612 2/20 0.41
RPS6KB1 P23443 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PRKX P51817 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKG2 Q13237 2/20 0.41
PKN2 Q16513 2/20 0.41
CDC42BPA Q5VT25 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
SGK2 Q9HBY8 2/20 0.41

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
SCHEMBL20931683 1.00 MAPK1 (0.55) MAPK1MAPK3LRRK2ROCK2ROCK1
SCHEMBL22284173 1.00 MAPK1 (0.55) MAPK1MAPK3LRRK2ROCK2ROCK1
SCHEMBL22284151 0.92 MAPK1 (0.54) MAPK1MAPK3LRRK2ROCK2ROCK1
SCHEMBL20931754 0.92 MAPK1 (0.54) MAPK1MAPK3LRRK2ROCK2ROCK1
SCHEMBL30554347 0.92 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL20916856 0.92 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL30554352 0.92 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL20931371 0.92 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL20916811 0.92 MAPK1 (0.53) MAPK1MAPK3ROCK2ROCK1PRKG1
SCHEMBL20931844 0.91 MAPK1 (0.54) MAPK1MAPK3ROCK2ROCK1CYP3A4

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
CN-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 CN disclosed