SCHEMBL6693653

SCHEMBL6693653

Cn1c(Cl)nc(-c2ccncc2)c(-c2ccccc2F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.45
ADORA2A P29274 4/20 0.41
ADORA1 P30542 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CSNK1D P48730 3/20 0.40
CSNK1E P49674 3/20 0.40
MAP4K1 Q92918 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.38
PTGS1 P23219 1/20 0.38
GSK3B P49841 1/20 0.38
MAPT P10636 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 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
SCHEMBL5789108 0.81 MAPK14 (0.57) MAPK14ADORA2AADORA1CSNK1DCSNK1E
SCHEMBL5849136 0.78 ADORA1 (0.45) MAPK14ADORA1ALDH1A1NPC1RAB9A
SCHEMBL4826188 0.78 MAPK9 (0.56) MAPK14ADORA1CSNK1DKDM1AMAPK13
SCHEMBL6937232 0.76 MAPK9 (0.44) MAPK14ADORA2AADORA1ALDH1A1CSNK1D
SCHEMBL5787744 0.75 CSNK1D (0.55) MAPK14CSNK1DCSNK1ENPC1RAB9A
SCHEMBL5847952 0.74 MAPK9 (0.43) MAPK14ALDH1A1CSNK1DNPC1RAB9A
SCHEMBL5788934 0.74 GRIN1 (0.45) MAPK14CSNK1DNPC1RAB9AMAPT
SCHEMBL6936520 0.74 GSK3B (0.58) MAPK14ADORA2AADORA1ALDH1A1CSNK1D
SCHEMBL6936522 0.74 GSK3B (0.35) MAPK14ADORA2AADORA1CSNK1DCSNK1E
Hydrochloric Acid SCHEMBL6935269 0.73 GRIN1 (0.45) MAPK14CSNK1DNPC1RAB9AMAPT

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
EP-1448564-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2004-08-25 EP disclosed
WO-2003044021-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-05-30 WO disclosed