SCHEMBL9002610

SCHEMBL9002610

CCN(CCSc1cccc2nccn12)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CDK8 P49336 2/20 0.33
ROCK1 Q13464 2/20 0.33
FLT1 P17948 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ACVR1 Q04771 1/20 0.33
MAP4K2 Q12851 1/20 0.33
DYRK1A Q13627 1/20 0.33
AURKB Q96GD4 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL9002203 0.92 SMN1; SMN2 (0.34) ALDH1A1CDK8ROCK1FLT1CDK9
SCHEMBL9002001 0.90 TP53 (0.34) ALDH1A1HPGDCDK8ROCK1FLT1
SCHEMBL9002396 0.86 CDK8 (0.34) HSD17B10ALDH1A1HPGDCDK8ROCK1
SCHEMBL9002450 0.84 ALDH1A1 (0.33) HSD17B10ALDH1A1HPGDCDK8ROCK1
SCHEMBL9002391 0.83 CDK8 (0.32) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002232 0.81 CDK8 (0.37) ALDH1A1HPGDCDK8ROCK1FLT1
SCHEMBL9001960 0.79 CDK8 (0.34) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002265 0.77 ADORA2A (0.38) ALDH1A1GAARAB9A
SCHEMBL9002463 0.75 CDK8 (0.35) CDK8ROCK1FLT1CDK9LIMK1
SCHEMBL9002524 0.74 CDK8 (0.31) ALDH1A1CDK8ROCK1FLT1CDK9

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