SCHEMBL29948273

SCHEMBL29948273

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cccc1C#N)n2CCn1c(-c2c(F)cccc2C#N)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
PARP1 P09874 3/20 0.39
CFTR P13569 1/20 0.34
PTGER4 P35408 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CD38 P28907 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GPR52 Q9Y2T5 1/20 0.33
FGFR4 P22455 1/20 0.33
IDH1 O75874 1/20 0.33
CTSA P10619 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MAP4K1 Q92918 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
SCHEMBL23529310 1.00 PKN1 (0.43) PKN1PKN2PARP1CFTRPTGER4
SCHEMBL23529317 0.87 PKN1 (0.38) PKN1PKN2PARP1PTGER4CD38
SCHEMBL29948142 0.87 PKN1 (0.38) PKN1PKN2PARP1PTGER4CD38
SCHEMBL29948229 0.85 PKN1 (0.45) PKN1PKN2PARP1PTGER4CD38
SCHEMBL24801169 0.85 PKN1 (0.45) PKN1PKN2PARP1PTGER4CD38
SCHEMBL24801179 0.83 PKN1 (0.41) PKN1PKN2PARP1PTGER4IDH1
SCHEMBL24801176 0.83 PKN1 (0.41) PKN1PKN2PARP1PTGER4CD38
SCHEMBL29948161 0.83 PKN1 (0.43) PKN1PKN2PARP1PTGER4
SCHEMBL24801168 0.83 PKN1 (0.43) PKN1PKN2PARP1PTGER4
SCHEMBL24801182 0.79 TYK2 (0.38) PKN1PKN2PARP1PTGER4IDH1

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
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