SCHEMBL9002153

SCHEMBL9002153

CC(=O)N(CCCSc1cccc2nccn12)CCN(C(C)=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
CDK8 P49336 2/20 0.33
ROCK1 Q13464 2/20 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
ALDH1A1 P00352 3/20 0.32
ACHE P22303 5/20 0.32
BCHE P06276 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL9002582 0.89 F2 (0.34) ADORA2AALDH1A1ACHESMN1; SMN2MEN1
SCHEMBL9002067 0.83 BCHE (0.37) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001928 0.79 CDK8 (0.36) ADORA2ACDK8ROCK1CHEK1MAP4K4
SCHEMBL9002232 0.78 CDK8 (0.37) ADORA2ACDK8ROCK1CHEK1MAP4K4
SCHEMBL9002009 0.76 L3MBTL1 (0.37) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002424 0.74 CDK8 (0.37) ADORA2ACDK8ROCK1CHEK1MAP4K4
SCHEMBL9002001 0.72 TP53 (0.34) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002427 0.72 PTGS2 (0.43) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002390 0.71 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002610 0.70 HSD17B10 (0.34) 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