SCHEMBL22643164

SCHEMBL22643164

CC(=O)Nc1c(N)cc(C#N)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
MAPK8 P45983 6/20 0.39
MAPK9 P45984 5/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
LMNA P02545 1/20 0.37
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
MAPK10 P53779 2/20 0.36
MAP4K2 Q12851 2/20 0.36
PKN2 Q16513 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CHUK O15111 1/20 0.36
CDK2 P24941 1/20 0.36
CLK2 P49760 1/20 0.36
ITK Q08881 1/20 0.36
PASK Q96RG2 1/20 0.36

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
SCHEMBL10622670 0.89 EGLN2 (0.41) EGLN2DYRK1A
SCHEMBL16075170 0.83 EGLN2 (0.39) EGLN2DYRK1A
SCHEMBL30961665 0.78 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2
SCHEMBL20051327 0.78 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2
SCHEMBL7387168 0.74 KDM4E (0.51) HDAC1MAPK8MAPK9HDAC3HDAC2
SCHEMBL22430585 0.73 HPGD (0.47) EGLN2LMNADYRK1A
SCHEMBL22367067 0.72 ALDH1A1 (0.44) HDAC1HDAC3HDAC2NCOR2LMNA
SCHEMBL25121244 0.71 TTR (0.35) EGLN2
SCHEMBL4342782 0.71 PDE4A (0.46) EGLN2LMNADYRK1A
SCHEMBL4805167 0.71 HDAC1 (0.54) HDAC1EGLN2LMNADYRK1A

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
EP-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 EP disclosed