SCHEMBL24801176

SCHEMBL24801176

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cccc1S(=O)(=O)O)n2CCn1c(-c2c(F)cccc2S(=O)(=O)O)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
PARP1 P09874 2/20 0.38
PTGER4 P35408 7/20 0.35
TYK2 P29597 2/20 0.34
BRD4 O60885 1/20 0.34
IDH1 O75874 2/20 0.33
JAK1 P23458 1/20 0.33
CD38 P28907 1/20 0.32
NNMT P40261 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL24801169 0.86 PKN1 (0.45) PKN1PKN2PARP1PTGER4CD38
SCHEMBL29948229 0.86 PKN1 (0.45) PKN1PKN2PARP1PTGER4CD38
SCHEMBL24801179 0.84 PKN1 (0.41) PKN1PKN2PARP1PTGER4TYK2
SCHEMBL29948273 0.83 PKN1 (0.43) PKN1PKN2PARP1PTGER4TYK2
SCHEMBL29948161 0.83 PKN1 (0.43) PKN1PKN2PARP1PTGER4BRD4
SCHEMBL23529310 0.83 PKN1 (0.43) PKN1PKN2PARP1PTGER4TYK2
SCHEMBL24801168 0.83 PKN1 (0.43) PKN1PKN2PARP1PTGER4BRD4
SCHEMBL24800778 0.80 PKN1 (0.38) PKN1PKN2PARP1PTGER4TYK2
SCHEMBL24801182 0.80 TYK2 (0.38) PKN1PKN2PARP1PTGER4TYK2
SCHEMBL30159588 0.80 TYK2 (0.38) PKN1PKN2PARP1PTGER4TYK2

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-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed