SCHEMBL29330842

SCHEMBL29330842

N#Cc1cc(OCCCOc2ccccc2)cc(Nc2ccc3c(F)c[nH]c3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
RAB9A P51151 1/20 0.34
APP P05067 1/20 0.34
MET P08581 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
AURKA O14965 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CDC7 O00311 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33

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
SCHEMBL29331093 0.94 KDM4E (0.35) IMPDH2RAB9AAPPMETJAK2
SCHEMBL29331089 0.93 MET (0.37) IMPDH2APPMETJAK2JAK1
SCHEMBL29330496 0.92 GAA (0.34) HTR1AAPPMETPRKAB2PRKAG1
SCHEMBL30938599 0.92 APP (0.33) IMPDH2APPMETCYP3A4PRKAB2
SCHEMBL29330500 0.90 P2RY14 (0.35) CSNK1A1CSNK1DAPPKDM4EGAA
SCHEMBL29330566 0.89 IMPDH2 (0.50) IMPDH2METCDC7KDM4EHPGD
SCHEMBL30938624 0.88 CSNK1A1 (0.41) IMPDH2CSNK1A1CSNK1DABCG2APP
SCHEMBL29330958 0.88 CSNK1A1 (0.41) IMPDH2CSNK1A1CSNK1DABCG2APP
SCHEMBL30938641 0.88 APP (0.31) APPMET
SCHEMBL29332698 0.84 GAA (0.35) IMPDH2HTR1AAPPJAK2JAK1

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
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed