SCHEMBL9001971

SCHEMBL9001971

NCCCCSc1cccc2nccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.40
ROCK1 Q13464 2/20 0.40
CHEK1 O14757 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
PRKACA P17612 1/20 0.40
KDR P35968 1/20 0.40
MAP2K1 Q02750 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40
AURKB Q96GD4 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
FLT1 P17948 1/20 0.36
CDK9 P50750 1/20 0.36
LIMK1 P53667 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
F13A1 P00488 1/20 0.33
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL9002631 0.95 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002023 0.89 CDK8 (0.42) CDK8ROCK1CHEK1MAP4K4CSF1R
Hydrochloric Acid SCHEMBL9001976 0.88 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7844846 0.87 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7846889 0.85 CDK8 (0.40) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002741 0.85 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9002390 0.84 CDK8 (0.41) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001994 0.80 CDK8 (0.42) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL7842403 0.80 CDK8 (0.42) CDK8ROCK1CHEK1MAP4K4CSF1R
SCHEMBL9001943 0.80 CDK8 (0.38) 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