SCHEMBL29989192

SCHEMBL29989192

Nc1cc(Cl)c(N2CCC(F)(F)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.40
GSK3A P49840 4/20 0.40
FLT3 P36888 1/20 0.38
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.35
AKT1 P31749 1/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN11 Q06124 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAD52 P43351 1/20 0.33
FFAR2 O15552 1/20 0.33
ADRB2 P07550 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
SCHEMBL23612065 1.00 GSK3B (0.40) GSK3BGSK3AFLT3PIK3CAMTOR
SCHEMBL29988862 0.80 GSK3B (0.36) GSK3BGSK3AFLT3MAPTADRB2
SCHEMBL30021808 0.77 GSK3B (0.46) GSK3BGSK3AALDH1A1MAPTKDM4E
SCHEMBL23611983 0.77 GSK3B (0.46) GSK3BGSK3AALDH1A1MAPTKDM4E
SCHEMBL28918238 0.76 GSK3B (0.41) GSK3BGSK3AMAPT
SCHEMBL16702719 0.75 GSK3A (0.39) GSK3BGSK3AFLT3PIK3CAMTOR
SCHEMBL23612055 0.75 GSK3B (0.47) GSK3BGSK3AFLT3MAPT
SCHEMBL23611974 0.73 GSK3B (0.46) GSK3BGSK3AALDH1A1MAPT
SCHEMBL30020864 0.73 GSK3B (0.46) GSK3BGSK3AALDH1A1MAPT
SCHEMBL23166934 0.72 SMN1; SMN2 (0.42) PIK3CAMTORALDH1A1POLBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085051-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
CN-115279770-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-01 CN disclosed