SCHEMBL19864427

SCHEMBL19864427

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 12/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ GCK P35557 1/20 0.36
▸ RORC P51449 6/20 0.35

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
SCHEMBL23618976 0.93 RORC (0.42) PDE2ARORC
SCHEMBL23619077 0.93 MAPK1 (0.41) MAPK1PDE2AGCKRORC
SCHEMBL23618978 0.87 PDE2A (0.37) MAPK1PDE2A
SCHEMBL23619076 0.87 PDE2A (0.34) PDE2AGCK
SCHEMBL23619030 0.86 RORC (0.41) MAPK1PDE2ARORC
SCHEMBL19864669 0.84 MAPK8 (0.43) MAPK1
SCHEMBL19864490 0.81 PDE2A (0.37) MAPK1PDE2A
SCHEMBL19864656 0.81 MAPK1 (0.39) MAPK1PDE2A
SCHEMBL19859424 0.80 TACR3 (0.37) MAPK1PDE2AGCK
SCHEMBL19859916 0.79 MAPK8 (0.39) MAPK1

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
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
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 — — WO disclosed
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