SCHEMBL19086260

SCHEMBL19086260

CC[C@@H](NC(=O)c1ccc2[nH]ncc2c1)C(=O)N1CCc2sc(C(=O)NCc3cnc(F)cc3C)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.38
PRMT5 O14744 11/20 0.36
WDR77 Q9BQA1 11/20 0.36
MAOB P27338 1/20 0.34
NAMPT P43490 2/20 0.34
ANPEP P15144 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
BTK Q06187 1/20 0.33
DDR1 Q08345 2/20 0.33

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
SCHEMBL19085997 0.90 PRMT5 (0.40) METTL3PRMT5WDR77NAMPTROCK2
SCHEMBL19085992 0.90 PRMT5 (0.40) METTL3PRMT5WDR77NAMPTROCK2
SCHEMBL19086003 0.89 METTL3 (0.38) METTL3PRMT5WDR77MAOBNAMPT
SCHEMBL19086994 0.89 MAOB (0.39) METTL3PRMT5WDR77MAOBNAMPT
SCHEMBL19086205 0.89 MAOB (0.39) METTL3PRMT5WDR77MAOBNAMPT
SCHEMBL19085985 0.89 PRMT5 (0.40) METTL3PRMT5WDR77ROCK2ROCK1
SCHEMBL19086251 0.88 METTL3 (0.39) METTL3PRMT5WDR77MAOBROCK2
SCHEMBL19086986 0.87 PRMT5 (0.38) METTL3PRMT5WDR77MAOBNAMPT
SCHEMBL19086259 0.87 METTL3 (0.42) METTL3PRMT5WDR77MAOBNAMPT
SCHEMBL19085979 0.87 MAOB (0.41) METTL3PRMT5WDR77MAOBNAMPT

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