SCHEMBL9002065

SCHEMBL9002065

c1ccc(OCCOCCCSc2cccc3nccn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.39
ROCK1 Q13464 2/20 0.39
CHEK1 O14757 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
MAP2K1 Q02750 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAP4K2 Q12851 1/20 0.39
DYRK1A Q13627 1/20 0.39
AURKB Q96GD4 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 4/20 0.36

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
SCHEMBL9001899 0.94 CDK8 (0.43) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001825 0.86 CDK8 (0.39) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002304 0.83 CDK8 (0.36) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001943 0.80 CDK8 (0.38) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001982 0.77 CDK8 (0.32) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002004 0.77 TDP1 (0.47) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002741 0.76 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002390 0.75 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7844846 0.75 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002631 0.75 CDK8 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed