SCHEMBL7842445

SCHEMBL7842445

CC(=O)c1c(-c2ccc(Cl)cc2)sc(-c2ccncc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.49
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47
RAB9A P51151 4/20 0.43
MAPK14 Q16539 2/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.39
CNR1 P21554 1/20 0.39
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL6805136 0.99 ROCK1 (0.48) ROCK1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL6809073 0.91 CSNK1A1 (0.54) ROCK1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL6804421 0.86 MAPK14 (0.58) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL6805884 0.85 GRM6 (0.49) CSNK1A1CSNK1DCLK2CSNK1G1MAPK14
SCHEMBL6809510 0.84 CSNK1A1 (0.50) ROCK1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL7847013 0.83 GRM6 (0.51) CSNK1A1CSNK1DCLK2CSNK1G1RAB9A
SCHEMBL6801978 0.83 CSNK1A1 (0.44) ROCK1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL7844049 0.83 KIF11 (0.47) CSNK1A1CSNK1DCLK2CSNK1G1RAB9A
Hydrochloric Acid SCHEMBL6802046 0.82 GRM6 (0.50) CSNK1A1CSNK1DCLK2CSNK1G1RAB9A
Hydrochloric Acid SCHEMBL6803318 0.82 KIF11 (0.46) CSNK1A1CSNK1DCLK2CSNK1G1RAB9A

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
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP claimed