SCHEMBL28334986

SCHEMBL28334986

CCc1cc(OCc2ccccc2)c(F)cc1[K].FB(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ LIPE Q05469 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ KDM1A O60341 4/20 0.39

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
SCHEMBL28334988 0.92 NPC1 (0.42) GAACTSVCTSLMAPTMAPK1
SCHEMBL29564439 0.79 MEN1 (0.44) GAAMAPTMAPK1TDP1L3MBTL1
SCHEMBL17258686 0.79 MEN1 (0.44) GAAMAPTMAPK1TDP1L3MBTL1
SCHEMBL30437072 0.77 NPC1 (0.43) GAACTSVCTSLMAPTMAPK1
SCHEMBL18787255 0.77 NPC1 (0.43) GAACTSVCTSLMAPTMAPK1
SCHEMBL23663364 0.73 FFAR1 (0.47) GAACTSVCTSLMAPTMAPK1
SCHEMBL856019 0.72 ERN1 (0.55) ERN1LIPEMAPTMAPK1TDP1
SCHEMBL29703994 0.72 KDM1A (0.48) GAALIPEMAPTMAPK1TDP1
SCHEMBL18787264 0.72 KDM1A (0.48) GAALIPEMAPTMAPK1TDP1
SCHEMBL29652912 0.71 DGAT1 (0.40) GAACTSVCTSLERN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573157-B Methods of treatment using JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2023-04-04 — — CN disclosed
CN-110603255-B Crystalline forms of a JAK inhibitor compound 施万生物制药研发IP有限责任公司 2023-02-10 — — CN disclosed
CN-108349972-B JAK kinase inhibitor compounds for the treatment of respiratory diseases 施万生物制药研发IP有限责任公司 2021-06-08 — — CN disclosed
CN-110603255-A Crystalline forms of a JAK inhibitor compound 施万生物制药研发IP有限责任公司 2019-12-20 — — CN disclosed
CN-110573157-A Methods of treatment using JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2019-12-13 — — CN disclosed
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