SCHEMBL28334988

SCHEMBL28334988

CCc1cc(OCc2ccccc2)c(F)cc1[K].F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ KDM1A O60341 3/20 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
SCHEMBL28334986 0.92 GAA (0.42) NPC1GAABRD4CTSVCTSL
SCHEMBL18787255 0.82 NPC1 (0.43) NPC1GAABRD4CTSVCTSL
SCHEMBL30437072 0.82 NPC1 (0.43) NPC1GAABRD4CTSVCTSL
SCHEMBL29564439 0.79 MEN1 (0.44) NPC1GAABRD4MAPK1MAPT
SCHEMBL17258686 0.79 MEN1 (0.44) NPC1GAABRD4MAPK1MAPT
SCHEMBL18787256 0.77 KDM1A (0.45) NPC1BRD4MAPK1MAPTTDP1
SCHEMBL28332769 0.76 KDM1A (0.44) NPC1BRD4MAPK1MAPTTDP1
SCHEMBL23663364 0.73 FFAR1 (0.47) NPC1GAABRD4CTSVCTSL
SCHEMBL29703994 0.72 KDM1A (0.48) NPC1GAAMAPK1MAPTTDP1
SCHEMBL18787264 0.72 KDM1A (0.48) NPC1GAAMAPK1MAPTTDP1

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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