SCHEMBL9002202

SCHEMBL9002202

O=S(=O)(CCCCl)NCCSc1cccc2nccn12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CDK8 P49336 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAP4K2 Q12851 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
AURKB Q96GD4 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PPARG P37231 1/20 0.32
F10 P00742 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9002291 0.90 HPGD (0.35) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9001931 0.88 KDM4E (0.39) ALDH1A1
SCHEMBL9002012 0.88 KDM4E (0.39) ALDH1A1
SCHEMBL9002373 0.87 KDM4E (0.36) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002027 0.86 CNR2 (0.36) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002172 0.82 MAPT (0.43) CHEK1MAP4K4CSF1RPRKACAKDR
Hydrochloric Acid SCHEMBL9001908 0.81 MAPT (0.42) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002741 0.80 CDK8 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002262 0.79 NPY5R (0.33) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9001975 0.79 KMT2A (0.47) MEN1ALDH1A1PKMKMT2AL3MBTL1

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