SCHEMBL19085976

SCHEMBL19085976

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.46
ENPP2 Q13822 1/20 0.41
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 1/20 0.39
MAOB P27338 1/20 0.38
CHRM3 P20309 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAMPT P43490 1/20 0.36
ADORA1 P30542 1/20 0.36
METTL3 Q86U44 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL19086254 0.92 PRMT5 (0.40) DDR2ENPP2PRMT5WDR77MAOB
SCHEMBL19085994 0.91 ROCK2 (0.41) PRMT5WDR77ROCK2ROCK1MAOB
SCHEMBL19085995 0.91 METTL3 (0.41) PRMT5WDR77ROCK2ROCK1MAOB
SCHEMBL19085984 0.91 ROCK2 (0.42) PRMT5WDR77ROCK2ROCK1MAOB
SCHEMBL19085996 0.89 ROCK2 (0.53) PRMT5WDR77ROCK2ROCK1NAMPT
SCHEMBL19086042 0.89 PRMT5 (0.38) ENPP2PRMT5WDR77MAOBMETTL3
SCHEMBL19086002 0.88 PRMT5 (0.38) ENPP2PRMT5WDR77ROCK2ROCK1
SCHEMBL19085991 0.87 MAOB (0.42) PRMT5WDR77ROCK2ROCK1MAOB
SCHEMBL19086985 0.87 PRMT5 (0.41) PRMT5WDR77ROCK2ROCK1MAOB
SCHEMBL19086994 0.87 MAOB (0.39) PRMT5WDR77ROCK2ROCK1MAOB

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