SCHEMBL14977329

SCHEMBL14977329

CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4CC4)c3)cn12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HPGDS O60760 2/20 0.42
BRD4 O60885 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.40
HTR2B P41595 1/20 0.40
DCK P27707 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14977224 0.83 KIT (0.39) MAPTTHRBRXFP1LMNAKMT2A
SCHEMBL14977691 0.82 CYP2C8 (0.43) MAPK14
SCHEMBL14977765 0.80 CYP2C8 (0.47) MAPK14
SCHEMBL14976444 0.75 CSNK1D (0.39) THRB
SCHEMBL14986287 0.75 MAPK14 (0.39) MAPTTHRBTP53MAPK14LMNA
SCHEMBL14977610 0.74 DGAT2 (0.38) MAPTTHRBMAPK14LMNA
SCHEMBL14977606 0.74 MAPK14 (0.41) MAPTMAPK14
SCHEMBL14977839 0.73 WDR5 (0.44) MAPTTHRBTP53MAPK11MAPK14
SCHEMBL14977538 0.72 KDM4E (0.42) MAPTTHRBTP53RXFP1LMNA
SCHEMBL2466021 0.72 PIK3CG (0.45) MAPK14MEN1KMT2A

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