SCHEMBL29948142

SCHEMBL29948142

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cc(Cl)cc1C#N)n2CCn1c(-c2c(F)cc(Cl)cc2C#N)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
PTGER4 P35408 8/20 0.35
HPGD P15428 1/20 0.34
PARP1 P09874 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
F11 P03951 1/20 0.34
CYP3A4 P08684 1/20 0.34
SYK P43405 1/20 0.33
IDH1 O75874 1/20 0.33
CD38 P28907 1/20 0.33
GRM2 Q14416 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
SCHEMBL23529317 1.00 PKN1 (0.38) PKN1PKN2PTGER4HPGDPARP1
SCHEMBL23529310 0.87 PKN1 (0.43) PKN1PKN2PTGER4PARP1JAK2
SCHEMBL29948273 0.87 PKN1 (0.43) PKN1PKN2PTGER4PARP1JAK2
SCHEMBL29948164 0.86 PTGER4 (0.41) PKN1PKN2PTGER4GRM2
SCHEMBL23529383 0.86 PKN1 (0.37) PKN1PKN2PTGER4PARP1SYK
SCHEMBL29948198 0.86 PKN1 (0.37) PKN1PKN2PTGER4PARP1SYK
SCHEMBL23552398 0.86 PTGER4 (0.41) PKN1PKN2PTGER4GRM2
SCHEMBL23529396 0.79 GPR35 (0.35) PKN1PKN2PARP1
SCHEMBL29948116 0.79 GPR35 (0.35) PKN1PKN2PARP1
SCHEMBL23529303 0.79 PTGER4 (0.41) PKN1PKN2PTGER4

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