SCHEMBL20145976

SCHEMBL20145976

CCC[C@@H](NNC(=O)c1ccc2c(c1F)B(O)OC2)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 6/20 0.38
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA4 P22748 2/20 0.31
AKT1 P31749 4/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
PRKCA P17252 1/20 0.31
GRK2 P25098 1/20 0.31

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
SCHEMBL16036504 0.92 RPS6KA1 (0.37) RPS6KA1CA12CA1CA2CA9
SCHEMBL16036503 0.92 RPS6KA1 (0.37) RPS6KA1CA12CA1CA2CA9
SCHEMBL19977329 0.82 RPS6KA1 (0.36) RPS6KA1CA12CA1CA2CA9
SCHEMBL16077586 0.75 CA1 (0.30) CA1CA2
SCHEMBL19582116 0.74 CA2 (0.36) RPS6KA1CA12CA1CA2CA9
SCHEMBL28426675 0.71 RPS6KA1 (0.36) RPS6KA1CA12CA1CA2CA9
SCHEMBL26334329 0.71 RPS6KA1 (0.41) RPS6KA1CA12CA1CA2CA9
SCHEMBL19602653 0.71 MEN1 (0.39) RPS6KA1CA12CA1CA2CA9
SCHEMBL19602655 0.71 MEN1 (0.39) RPS6KA1CA12CA1CA2CA9
SCHEMBL30345772 0.71 CA12 (0.41) CA12CA1CA2CA9CA4

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
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed