SCHEMBL27306641

SCHEMBL27306641

CCCc1nc(C#N)cn1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.36
CTSS P25774 2/20 0.36
SPNS2 Q8IVW8 1/20 0.32
CYP19A1 P11511 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
PDE10A Q9Y233 2/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
KDM5A P29375 1/20 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
SCHEMBL17835018 0.85 BRD4 (0.33) MAPK1BRD4
SCHEMBL5527952 0.75 RPS6KB1 (0.48) CTSKCTSSCYP19A1PDE10AMAPT
SCHEMBL13702951 0.72 PDE10A (0.37) SPNS2PDE10AMAPTKDM4EALDH1A1
SCHEMBL15033451 0.71 PDE10A (0.35) SPNS2PDE10ABRD4MAPTKDM4E
SCHEMBL15473897 0.70
Bromide SCHEMBL16059581 0.69 SPNS2 (0.33) SPNS2PDE10AMAPTKDM4EALDH1A1
SCHEMBL28185774 0.68 PDE10A (0.40) PDE10AALDH1A1
SCHEMBL13384289 0.66 NOS3 (0.33) CTSKCTSSSPNS2MAPTKDM4E
SCHEMBL12362482 0.64 PDE10A (0.58) PDE10A
SCHEMBL17260752 0.64 BRD4 (0.37) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039323-C Imidazopyriding derivatives and process for preparation thereof TANABE SEIYAKU CO (JP) 1998-07-29 CN disclosed
CN-1070912-A Imidazopyridine derivatives and preparation method thereof TANABE SEIYAKU CO (JP) 1993-04-14 CN disclosed