SCHEMBL23619077

SCHEMBL23619077

CS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc3c(n2)OCCN3c2cc(C3CC3)nc(C3CC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 10/20 0.41
▸ GCK P35557 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ KIF18A Q8NI77 1/20 0.35
▸ RORC P51449 6/20 0.35
▸ CBLB Q13191 1/20 0.34

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
SCHEMBL23619030 0.93 RORC (0.41) MAPK1PDE2ARORC
SCHEMBL19864427 0.93 MAPK1 (0.38) MAPK1GCKPDE2ARORC
SCHEMBL19864490 0.88 PDE2A (0.37) MAPK1PDE2A
SCHEMBL19864656 0.88 MAPK1 (0.39) MAPK1PDE2A
SCHEMBL19859424 0.87 TACR3 (0.37) MAPK1GCKPDE2AKIF18ACBLB
SCHEMBL23618976 0.86 RORC (0.42) PDE2ARORC
SCHEMBL23619074 0.85 MAPK1 (0.41) MAPK1GCKPDE2ARORCCBLB
SCHEMBL19859210 0.84 MAPK8 (0.42) MAPK1
SCHEMBL23619078 0.80 MAPK1 (0.41) MAPK1GCKRORC
SCHEMBL23619076 0.80 PDE2A (0.34) GCKPDE2AKIF18A

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-2021136339-A1 AMIDE COMPOUND WITH BICYCLIC STRUCTURE AND USE THEREOF IN DRUG 广东东阳光药业有限公司 2021-07-08 — — WO disclosed
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