SCHEMBL7845451

SCHEMBL7845451

ClCCCCCc1cccc2nccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.42
ROCK1 Q13464 2/20 0.42
CHEK1 O14757 1/20 0.42
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K1 Q02750 1/20 0.42
ACVR1 Q04771 1/20 0.42
MAP4K2 Q12851 1/20 0.42
DYRK1A Q13627 1/20 0.42
AURKB Q96GD4 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
FLT1 P17948 1/20 0.39
CDK9 P50750 1/20 0.39
LIMK1 P53667 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TBXAS1 P24557 12/20 0.37
TLR7 Q9NYK1 4/20 0.35
ADORA3 P0DMS8 1/20 0.34

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 SCHEMBL7847073 0.83 TBXAS1 (0.51) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL22268440 0.82 TBXAS1 (0.44) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL4302780 0.81 CDK8 (0.49) CDK8ROCK1CHEK1MAP4K4CSF1R
Hydrochloric Acid SCHEMBL7845434 0.81 TBXAS1 (0.46) CDK8ROCK1CHEK1MAP4K4CSF1R
Hydrochloric Acid SCHEMBL7870210 0.80 CDK8 (0.47) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL20099909 0.78 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7842299 0.78 CDK8 (0.46) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7842368 0.75 KDM4E (0.39) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7846380 0.74 CDK8 (0.49) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL20295285 0.74 CDK8 (0.49) CDK8ROCK1CHEK1MAP4K4CSF1R

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 4 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
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