SCHEMBL23889192

SCHEMBL23889192

NC(=O)c1cccnc1O[C@@]12CC[C@H](NC(=O)c3cnc4cc(NCC(F)F)ccn34)CC1C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.34
▸ SIK1 P57059 2/20 0.33
▸ SIK2 Q9H0K1 2/20 0.33
▸ SIK3 Q9Y2K2 2/20 0.33
▸ ROCK2 O75116 11/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ PLAU P00749 2/20 0.32

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
SCHEMBL23889198 0.86 ROCK2 (0.40) USP30ROCK2
SCHEMBL20646794 0.83 ROCK2 (0.39) SIK1SIK2SIK3ROCK2PLAU
SCHEMBL23889137 0.68 ROCK2 (0.38) ROCK2
SCHEMBL20646787 0.68 ROCK2 (0.43) ROCK2
SCHEMBL23888968 0.68 ROCK2 (0.46) USP30ROCK2
SCHEMBL20647136 0.67 ROCK2 (0.43) ROCK2
SCHEMBL24247696 0.67 ROCK2 (0.44) ROCK2
SCHEMBL21947210 0.67 ROCK2 (0.55) ROCK2
SCHEMBL20647126 0.66 ROCK2 (0.40) USP30ROCK2
SCHEMBL20647027 0.64 USP30 (0.44) USP30SIK1SIK2SIK3ROCK2

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-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
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