SCHEMBL14977301

SCHEMBL14977301

CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)c(OC)cc3Cl)cn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.36
CSNK1E P49674 3/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RORB Q92753 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
CTSA P10619 1/20 0.34
KIT P10721 1/20 0.34
TACR3 P29371 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 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
SCHEMBL14977718 0.93 ROCK2 (0.35) CSNK1DCSNK1EROCK2ROCK1NPC1
SCHEMBL14977339 0.87 ROCK2 (0.43) ROCK2ROCK1NPC1PTGDR2KIT
SCHEMBL14977379 0.86 DGAT2 (0.42) ROCK2ROCK1NPC1PTGDR2KIT
SCHEMBL14977469 0.83 NPC1 (0.38) CSNK1DCSNK1ENPC1RAB9ATP53
SCHEMBL14977623 0.82 PPARG (0.39) ROCK2ROCK1NPC1PTGDR2KIT
SCHEMBL14977707 0.81 PPARG (0.39) ROCK2ROCK1NPC1PTGDR2KIT
SCHEMBL14976510 0.81 CSNK1D (0.33) CSNK1DCSNK1ENPC1RAB9ACTSA
SCHEMBL14977224 0.81 KIT (0.39) CSNK1DCSNK1ENPC1RAB9APTGDR2
SCHEMBL14977196 0.80 KIT (0.39) CSNK1DCSNK1EPTGDR2KITTACR3
SCHEMBL14976233 0.79 KIT (0.38) ROCK2ROCK1NPC1RAB9APTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO claimed
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO disclosed