SCHEMBL31312439

SCHEMBL31312439

N#Cc1cc(N2CCC(Oc3ccccc3)CC2)cc(Nc2ccc3c(F)c[nH]c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.40
JAK1 P23458 4/20 0.39
JAK3 P52333 4/20 0.39
JAK2 O60674 3/20 0.39
GALR2 O43603 1/20 0.36
GALR1 P47211 1/20 0.36
APP P05067 2/20 0.36
NAMPT P43490 1/20 0.35
TYK2 P29597 2/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
SCN9A Q15858 2/20 0.34
GPR6 P46095 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL30629380 0.85 PRKCQ (0.39) CHRM4GALR2GALR1NAMPTSCN9A
SCHEMBL24539065 0.85 PRKCQ (0.39) CHRM4GALR2GALR1NAMPTSCN9A
SCHEMBL29745772 0.82 SYK (0.37) CHRM4NAMPTSCN9AGPR6HRH3
SCHEMBL24539086 0.82 SYK (0.37) CHRM4NAMPTSCN9AGPR6HRH3
SCHEMBL29330958 0.79 CSNK1A1 (0.41) APPSCN9A
SCHEMBL30938624 0.79 CSNK1A1 (0.41) APPSCN9A
SCHEMBL29330831 0.79 APP (0.39) APPTYK2
SCHEMBL29330954 0.78 APP (0.38) APP
SCHEMBL31312416 0.76 PDGFRB (0.38) CHRM4JAK1JAK3JAK2SCN9A
SCHEMBL29330842 0.76 IMPDH2 (0.36) JAK1JAK3JAK2APP

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-2024263860-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-12-26 WO disclosed