SCHEMBL29988862

SCHEMBL29988862

CC(C)(C)N(C(=O)O)c1cc(Cl)c(N2CCC(F)(F)CC2)cn1.Nc1cc(Cl)c(N2CCC(F)(F)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.36
GSK3A P49840 5/20 0.36
MAPT P10636 3/20 0.35
FLT3 P36888 1/20 0.33
MAP3K5 Q99683 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
SCN10A Q9Y5Y9 5/20 0.31
ADRB2 P07550 1/20 0.30
ATR Q13535 1/20 0.30
P2RX7 Q99572 1/20 0.30
KIF18A Q8NI77 1/20 0.30

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
SCHEMBL29989192 0.80 GSK3B (0.40) GSK3BGSK3AMAPTFLT3MAP3K5
SCHEMBL23612065 0.80 GSK3B (0.40) GSK3BGSK3AMAPTFLT3MAP3K5
SCHEMBL29988619 0.74 CNR2 (0.36) GSK3BGSK3ASCN10A
SCHEMBL30021808 0.71 GSK3B (0.46) GSK3BGSK3AMAPTSCN10A
SCHEMBL23611983 0.71 GSK3B (0.46) GSK3BGSK3AMAPTSCN10A
SCHEMBL30020868 0.70 GSK3B (0.36) GSK3BGSK3AMAPTFLT3SCN10A
SCHEMBL23612055 0.69 GSK3B (0.47) GSK3BGSK3AMAPTFLT3SCN10A
SCHEMBL30089458 0.69 TRPC6 (0.45)
SCHEMBL23623101 0.68 GSK3B (0.46) GSK3BGSK3AMAPTKIF18A
SCHEMBL29988590 0.68 GSK3B (0.46) GSK3BGSK3AMAPTKIF18A

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-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