SCHEMBL19085994

SCHEMBL19085994

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(F)c3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.41
ROCK1 Q13464 6/20 0.41
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 3/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.40
GRK2 P25098 1/20 0.39
GRK5 P34947 1/20 0.39
GRK1 Q15835 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
METTL3 Q86U44 1/20 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
SCHEMBL19085995 0.93 METTL3 (0.41) ROCK2ROCK1PRMT5WDR77SMN1; SMN2
SCHEMBL19085984 0.92 ROCK2 (0.42) ROCK2ROCK1PRMT5WDR77SMN1; SMN2
SCHEMBL19086023 0.92 NAMPT (0.38) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19085976 0.91 DDR2 (0.46) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19085996 0.91 ROCK2 (0.53) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086994 0.90 MAOB (0.39) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086205 0.90 MAOB (0.39) ROCK2ROCK1PRMT5WDR77NAMPT
SCHEMBL19086212 0.89 ROCK2 (0.41) ROCK2ROCK1SMN1; SMN2MAPK1
SCHEMBL19085978 0.89 ROCK2 (0.46) ROCK2ROCK1PRMT5WDR77MAOB
SCHEMBL19085991 0.89 MAOB (0.42) ROCK2ROCK1PRMT5WDR77SMN1; SMN2

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-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed