SCHEMBL7846291

SCHEMBL7846291

O=C(S)Cc1cccc2nccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
CDK8 P49336 3/20 0.42
ROCK1 Q13464 3/20 0.42
MAP4K4 O95819 2/20 0.42
CSF1R P07333 2/20 0.42
PRKACA P17612 2/20 0.42
KDR P35968 2/20 0.42
MAP2K1 Q02750 2/20 0.42
ACVR1 Q04771 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
CHEK1 O14757 1/20 0.42
MAP4K2 Q12851 1/20 0.42
DYRK1A Q13627 1/20 0.42
AURKB Q96GD4 1/20 0.42
LIMK1 P53667 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
FLT1 P17948 1/20 0.39
CDK9 P50750 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL3775955 0.85 CDK8 (0.47) MAPK9MAPK10CDK8ROCK1MAP4K4
Hydrochloric Acid SCHEMBL19510410 0.84 CDK8 (0.46) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL29456248 0.84 MAPK9 (0.45) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL7846293 0.79 CDK8 (0.47) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL7986589 0.78 MAPK9 (0.41) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL13462057 0.78 CDK8 (0.49) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL7846380 0.78 CDK8 (0.49) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL19510476 0.77 MAPK9 (0.53) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL3779831 0.77 MAPK9 (0.41) MAPK9MAPK10CDK8ROCK1MAP4K4
SCHEMBL20295270 0.75 CDK8 (0.44) MAPK9MAPK10CDK8ROCK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed