SCHEMBL30760076

SCHEMBL30760076

Cc1cnccc1-c1ccc(C(CO)NC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.60
ROCK2 O75116 12/20 0.49
ROCK1 Q13464 8/20 0.49
RPS6KA5 O75582 3/20 0.49
MAP4K4 O95819 3/20 0.49
PRKACA P17612 3/20 0.49
RPS6KB1 P23443 3/20 0.49
AKT1 P31749 3/20 0.49
AKT2 P31751 3/20 0.49
GSK3A P49840 3/20 0.49
GSK3B P49841 3/20 0.49
PRKX P51817 3/20 0.49
NEK4 P51957 3/20 0.49
PRKCD Q05655 3/20 0.49
PRKG2 Q13237 3/20 0.49
PRKG1 Q13976 3/20 0.49
PKN2 Q16513 3/20 0.49
CDC42BPA Q5VT25 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
SGK2 Q9HBY8 3/20 0.49

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
SCHEMBL3104408 0.85 MAPK1 (0.67) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL30760184 0.84 MAPK1 (0.51) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL3093972 0.78 MAPK1 (0.73) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL30760160 0.78 MAPK1 (0.46) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL30760039 0.78 MAPK1 (0.46) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL16679599 0.76 MAPK1 (1.00) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL19813035 0.76 MAPK1 (1.00) MAPK1ROCK2ROCK1RPS6KA5MAP4K4
SCHEMBL30760043 0.76 MAPK1 (0.46) MAPK1ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL30760149 0.76 MAPK1 (0.46) MAPK1ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL3106386 0.74 MAPK1 (0.57) MAPK1ROCK2ROCK1RPS6KA5MAP4K4

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-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed