SCHEMBL8058650

SCHEMBL8058650

CNC(=O)c1cc(C#N)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
RET P07949 2/20 0.37
PIM1 P11309 2/20 0.37
GSK3B P49841 2/20 0.37
CHEK1 O14757 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
RPS6KA3 P51812 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
TYRO3 Q06418 1/20 0.37
MAPK14 Q16539 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALPL P05186 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL24758142 0.80 HCAR2 (0.37) RETMAPK1LCKSRCDAO
SCHEMBL5355374 0.79 MAPK1 (0.59) ALPLMAPK1HCAR2GAAMAPT
SCHEMBL10340622 0.78 HCAR2 (0.52) DAOHCAR2MAPT
SCHEMBL18236174 0.77 ALPL (0.41) BAZ2BRETPIM1GSK3BCHEK1
SCHEMBL2619220 0.74 DAO (0.62) BAZ2BALPLDAOHCAR2LMNA
SCHEMBL164683 0.74 BAZ2B (0.42) BAZ2BRETPIM1GSK3BCHEK1
SCHEMBL23185764 0.74 CHEK1 (0.57) BAZ2BRETPIM1GSK3BCHEK1
SCHEMBL12694613 0.73 BAZ2B (0.41) MAPK8MAPK9BAZ2BRETPIM1
SCHEMBL24117299 0.72 MAPK1 (0.39) MAPK1HCAR2LMNAMAPTKDM4E
SCHEMBL20488775 0.71 CHEK1 (0.50) RETPIM1GSK3BCHEK1PDGFRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed