SCHEMBL29020132

SCHEMBL29020132

C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2cnn(C)c2)n1)c1ccc(Cl)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.49
MAPK1 P28482 10/20 0.46
MET P08581 1/20 0.46
GPR139 Q6DWJ6 1/20 0.41
PFKFB3 Q16875 1/20 0.41
RPS6KA1 Q15418 1/20 0.40
KIT P10721 2/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL29020136 1.00 CLK1 (0.49) CLK1MAPK1METGPR139PFKFB3
SCHEMBL29961544 1.00 CLK1 (0.49) CLK1MAPK1METGPR139PFKFB3
SCHEMBL29961667 0.95 CLK1 (0.50) CLK1MAPK1METPFKFB3KIT
SCHEMBL29020156 0.95 CLK1 (0.50) CLK1MAPK1METPFKFB3KIT
SCHEMBL29020159 0.95 CLK1 (0.50) CLK1MAPK1METPFKFB3KIT
SCHEMBL29961614 0.94 MAPK1 (0.52) CLK1MAPK1METPFKFB3KIT
SCHEMBL29020222 0.94 MAPK1 (0.52) CLK1MAPK1METPFKFB3KIT
SCHEMBL29020226 0.94 MAPK1 (0.52) CLK1MAPK1METPFKFB3KIT
SCHEMBL29961477 0.92 CLK1 (0.48) CLK1MAPK1METPFKFB3KIT
SCHEMBL29020134 0.92 CLK1 (0.48) CLK1MAPK1METPFKFB3KIT

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-115093400-B AhR inhibitor, application and preparation method thereof 北京华森英诺生物科技有限公司 2023-09-05 CN disclosed
CN-115093400-A AhR inhibitor and application and preparation method thereof 重庆华森制药股份有限公司 2022-09-23 CN disclosed