SCHEMBL24554162

SCHEMBL24554162

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.49
▸ CSNK1D P48730 2/20 0.45
▸ RIPK3 Q9Y572 2/20 0.45
▸ NR3C2 P08235 2/20 0.44
▸ GSK3B P49841 2/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ MAPK13 O15264 2/20 0.43
▸ MAPK12 P53778 2/20 0.43
▸ MAPK11 Q15759 2/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL29683070 1.00 MAPK14 (0.49) MAPK14CSNK1DRIPK3NR3C2GSK3B
SCHEMBL24554288 0.93 RIPK3 (0.46) MAPK14CSNK1DRIPK3NR3C2GSK3B
SCHEMBL29683094 0.93 NR3C2 (0.46) MAPK14CSNK1DNR3C2GSK3BMAPK10
SCHEMBL24554207 0.93 NR3C2 (0.46) MAPK14CSNK1DNR3C2GSK3BMAPK10
SCHEMBL29683284 0.91 MAPK14 (0.43) MAPK14CSNK1DRIPK3NR3C2GSK3B
SCHEMBL24553836 0.91 MAPK14 (0.43) MAPK14CSNK1DRIPK3NR3C2GSK3B
SCHEMBL29683167 0.91 MAPK14 (0.56) MAPK14CSNK1DNR3C2GSK3B
SCHEMBL24553788 0.91 MAPK14 (0.56) MAPK14CSNK1DNR3C2GSK3B
SCHEMBL24553781 0.90 MAPK14 (0.46) MAPK14CSNK1DNR3C2GSK3B
SCHEMBL24553697 0.90 MAPK14 (0.53) MAPK14CSNK1DMAPK10MAPK13MAPK12

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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