SCHEMBL28909196

SCHEMBL28909196

Cc1ccc2sc(C(=O)OOC(=O)C(C)(C)C)c(COc3ccc(C(N)=O)cc3)c2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.38
STING1 Q86WV6 7/20 0.38
IKBKB O14920 1/20 0.38
PARP15 Q460N3 1/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
INSR P06213 1/20 0.36
CDK1 P06493 1/20 0.36
ROS1 P08922 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
FER P16591 1/20 0.36
PRKACA P17612 1/20 0.36
FGFR3 P22607 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL28531578 0.89 PARP10 (0.39) PARP10STING1IKBKBPARP15MAOB
SCHEMBL23630816 0.89 STING1 (0.40) PARP10STING1IKBKBPARP15CDC7
SCHEMBL26781813 0.86 STING1 (0.43) PARP10STING1IKBKBCDC7PLK4
SCHEMBL28531514 0.85 STING1 (0.55) STING1CDC7PLK4DYRK3ROCK2
SCHEMBL23635918 0.85 ALDH1A1 (0.44) PARP10STING1IKBKBCDC7PLK4
SCHEMBL23112222 0.84 STING1 (0.52) PARP10STING1IKBKB
SCHEMBL23112070 0.76 STING1 (0.53) PARP10STING1PARP15MAOB
SCHEMBL30697668 0.76 STING1 (0.48) PARP10STING1IKBKBPARP15MAOB
SCHEMBL23635884 0.76 STING1 (0.48) PARP10STING1IKBKBPARP15MAOB
SCHEMBL26778052 0.73 STING1 (0.50) PARP10STING1IKBKBPARP15MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424181-B Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2024-02-27 CN disclosed
CN-112424181-A Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2021-02-26 CN disclosed