SCHEMBL23979359

SCHEMBL23979359

Cc1n[nH]c(C(=O)S)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
PDE4D Q08499 1/20 0.34
HCAR2 Q8TDS4 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL14184934 0.79 DYRK1A (0.44) DYRK1APDE4DHCAR2LMNAL3MBTL1
SCHEMBL15824828 0.79 DYRK1A (0.44) DYRK1APDE4DHCAR2LMNAL3MBTL1
SCHEMBL8597031 0.77 DYRK1A (0.42) DYRK1APDE4DHCAR2LMNAL3MBTL1
SCHEMBL7902863 0.74 KDM4C (0.53) DYRK1APDE4DLMNAL3MBTL1RAB9A
SCHEMBL19451625 0.69 DYRK1A (0.34) DYRK1A
SCHEMBL459546 0.68 DYRK1A (0.42) DYRK1A
SCHEMBL14879418 0.67 HCAR2 (0.48) DYRK1APDE4DHCAR2LMNAL3MBTL1
SCHEMBL31386781 0.67 HCAR2 (0.39) DYRK1APDE4DHCAR2LMNAL3MBTL1
SCHEMBL30107036 0.64 HCAR2 (0.42) DYRK1APDE4DHCAR2LMNAL3MBTL1
SCHEMBL7806001 0.63 PDE4D (0.38) PDE4DHCAR2LMNAL3MBTL1CYP2C19

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
WO-2021222442-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS PLEXXIKON INC. (US) 2021-11-04 WO disclosed