SCHEMBL7846687

SCHEMBL7846687

CC(C)(CCOS(C)(=O)=O)CCSc1cccc2nccn12

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.32
ROCK1 Q13464 2/20 0.32
FLT1 P17948 1/20 0.32
CDK9 P50750 1/20 0.32
LIMK1 P53667 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAP4K2 Q12851 1/20 0.32
DYRK1A Q13627 1/20 0.32
AURKB Q96GD4 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL9001996 0.88 CDK8 (0.35) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002414 0.86 CDK8 (0.34) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL7844434 0.81 CDK8 (0.35) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL7834936 0.78 CDK8 (0.33) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002172 0.74 MAPT (0.43) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002019 0.73 ALDH1A1 (0.35) CDK8ROCK1FLT1CDK9LIMK1
Hydrochloric Acid SCHEMBL9001908 0.73 MAPT (0.42) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002463 0.73 CDK8 (0.35) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL7841724 0.73 TSHR (0.38)
Hydrochloric Acid SCHEMBL9185489 0.72 CDK8 (0.34) CDK8ROCK1FLT1CDK9LIMK1

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
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed