SCHEMBL3622725

SCHEMBL3622725

COc1nc(N[C@H]2CC[C@H](N(C)C(=O)O)CC2)c(F)cc1C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.73
▸ ROCK1 Q13464 1/20 0.73
▸ SYK P43405 11/20 0.44
▸ MAPK8 P45983 5/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MAPK9 P45984 2/20 0.38

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
SCHEMBL1938207 0.90 ROCK2 (0.78) ROCK2ROCK1SYKMAPK8IRAK4
SCHEMBL1938209 0.90 ROCK2 (0.78) ROCK2ROCK1SYKMAPK8IRAK4
SCHEMBL1937783 0.87 ROCK2 (0.69) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1937784 0.87 ROCK2 (0.69) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL3627383 0.85 ROCK2 (0.79) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL3627381 0.85 ROCK2 (0.79) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1935855 0.85 ROCK2 (1.00) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1935856 0.85 ROCK2 (1.00) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL12489141 0.85 ROCK2 (0.83) ROCK2ROCK1SYKMAPK8KIT
SCHEMBL1937611 0.84 ROCK2 (0.64) ROCK2ROCK1SYKMAPK8KIT

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-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 — — WO disclosed
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