Sugi Predict

Sugi Predict / Compounds / SCHEMBL24801182

SCHEMBL24801182

SCHEMBL24801182

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cccc1-c1nc(=O)n(C)[nH]1)n2CCn1c(-c2c(F)cccc2-c2nc(=O)n(C)[nH]2)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ PARP1 P09874 5/20 0.35
▸ IDH1 O75874 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PTGER4 P35408 3/20 0.32
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL30159588 1.00 TYK2 (0.38) TYK2PKN1PKN2PARP1IDH1
SCHEMBL24800778 0.84 PKN1 (0.38) TYK2PKN1PKN2PARP1IDH1
SCHEMBL29948137 0.82 NOTUM (0.40) TYK2PKN1PKN2PARP1PTGER4
SCHEMBL30159523 0.82 POLQ (0.37) TYK2PKN1PKN2PARP1IDH1
SCHEMBL23529308 0.82 NOTUM (0.40) TYK2PKN1PKN2PARP1PTGER4
SCHEMBL24800770 0.82 POLQ (0.37) TYK2PKN1PKN2PARP1IDH1
SCHEMBL29948221 0.82 ACSS2 (0.39) PKN1PKN2PARP1
SCHEMBL23529304 0.82 ACSS2 (0.39) PKN1PKN2PARP1
SCHEMBL24801169 0.81 PKN1 (0.45) PKN1PKN2PARP1PTGER4
SCHEMBL29948229 0.81 PKN1 (0.45) PKN1PKN2PARP1PTGER4

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