SCHEMBL9002009

SCHEMBL9002009

CS(=O)(=O)N(CCCSc1cccc2nccn12)CCCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
CDK8 P49336 1/20 0.34
MAP2K1 Q02750 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
AURKB Q96GD4 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9001982 0.77 CDK8 (0.32) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9001825 0.77 CDK8 (0.39) L3MBTL1CHEK1MAP4K4CSF1RPRKACA
SCHEMBL9002153 0.76 ADORA2A (0.34) L3MBTL1CHEK1MAP4K4CSF1RPRKACA
Hydrochloric Acid SCHEMBL9185489 0.76 CDK8 (0.34) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9001928 0.74 CDK8 (0.36) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002414 0.74 CDK8 (0.34) L3MBTL1CHEK1MAP4K4CSF1RPRKACA
SCHEMBL9002013 0.74 POLB (0.37) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002067 0.73 BCHE (0.37) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL7846269 0.73 SMN1; SMN2 (0.52) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002010 0.73 POLB (0.36) CHEK1MAP4K4CSF1RPRKACAKDR

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