SCHEMBL24554201

SCHEMBL24554201

CC(C)(C)C(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(S(C)(=O)=O)CC3)ccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 8/20 0.40
▸ CSNK1E P49674 6/20 0.40
▸ MAPK14 Q16539 9/20 0.40
▸ NR3C2 P08235 3/20 0.40
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ KCNK3 O14649 2/20 0.37

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
SCHEMBL29683031 1.00 CSNK1D (0.40) CSNK1DCSNK1EMAPK14NR3C2MAPK13
SCHEMBL29682875 0.90 MAPK14 (0.50) CSNK1DMAPK14MAPK13MAPK12KCNH2
SCHEMBL24553783 0.90 MAPK14 (0.50) CSNK1DMAPK14MAPK13MAPK12KCNH2
SCHEMBL31680474 0.89 RIPK3 (0.43) CSNK1DCSNK1EMAPK14NR3C2MAPK13
SCHEMBL29683274 0.88 NR3C2 (0.44) CSNK1DCSNK1EMAPK14NR3C2MAPK13
SCHEMBL24554150 0.88 NR3C2 (0.44) CSNK1DCSNK1EMAPK14NR3C2MAPK13
SCHEMBL24554168 0.85 KCNK3 (0.38) CSNK1DCSNK1EMAPK14KCNK3
SCHEMBL24554136 0.82 KCNK3 (0.42) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL24554360 0.82 CSNK1D (0.45) CSNK1DCSNK1EMAPK14GSK3B
SCHEMBL29683049 0.82 CSNK1D (0.45) CSNK1DCSNK1EMAPK14GSK3B

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-2022127756-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2022-06-23 — — WO disclosed
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