SCHEMBL29019236

SCHEMBL29019236

COC(=O)c1nc(-c2cc(C)c3nn(C)cc3c2)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.39
RAF1 P04049 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR4 O95977 1/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL29019233 0.92 LCK (0.37) LCKGSK3BDYRK1AMAPT
SCHEMBL29019243 0.91 LCK (0.39) LCKGSK3BDYRK1AIRAK4
SCHEMBL30186700 0.83 LCK (0.36) LCKGSK3BDYRK1AIRAK4
SCHEMBL30186689 0.81 LCK (0.34) LCKGSK3BDYRK1AMAPTHTT
SCHEMBL19899530 0.72 L3MBTL1 (0.41) LCKRAF1SMN1; SMN2
SCHEMBL19899715 0.71 L3MBTL1 (0.41) LCKRAF1SMN1; SMN2
SCHEMBL29450135 0.71 L3MBTL1 (0.41) LCKRAF1SMN1; SMN2
SCHEMBL28048974 0.71 LCK (0.43) LCKRAF1CYP2C9CYP2C19NPSR1
SCHEMBL21781666 0.71 RAF1 (0.44) LCKRAF1NPSR1
SCHEMBL19912152 0.71 L3MBTL1 (0.40) LCKRAF1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096725-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2023-05-09 CN disclosed