SCHEMBL29948221

SCHEMBL29948221

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cccc1-c1nn[nH]n1)n2CCn1c(-c2c(F)cccc2-c2nn[nH]n2)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.39
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
PARP1 P09874 3/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL23529304 1.00 ACSS2 (0.39) ACSS2PKN1PKN2PARP1KDM4E
SCHEMBL24801693 0.90 PKN1 (0.38) PKN1PKN2KDM4EPKM
SCHEMBL29948114 0.90 PKN1 (0.38) PKN1PKN2KDM4EPKM
SCHEMBL23552514 0.90 PARP1 (0.33) ACSS2PKN1PKN2PARP1PARP2
SCHEMBL24800832 0.90 PKN1 (0.35) ACSS2PKN1PKN2PARP1
SCHEMBL29948208 0.89 GPR35 (0.36) ACSS2PKN1PKN2PARP1
SCHEMBL23529314 0.89 GPR35 (0.36) ACSS2PKN1PKN2PARP1
SCHEMBL29948116 0.88 GPR35 (0.35) ACSS2PKN1PKN2PARP1
SCHEMBL23529396 0.88 GPR35 (0.35) ACSS2PKN1PKN2PARP1
SCHEMBL23529311 0.87 AGTR1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077318-B1 BENZIMIDAZOLE DIMERS AS MODULATORS OF STING CTXT PTY LTD (AU) 2025-10-15 EP claimed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN claimed
EP-4077318-A1 COMPOUNDS CTXT PTY LTD (AU) 2022-10-26 EP claimed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN disclosed
WO-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed
EP-4077318-A1 COMPOUNDS CTXT PTY LTD (AU) 2022-10-26 EP disclosed
CN-114981265-A Compound (I) CTXT私人有限公司 2022-08-30 CN disclosed