SCHEMBL32667950

SCHEMBL32667950

CC(C)(C)OC(=O)Cc1cc(NC(=O)OC(C)(C)C)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
PTGER1 P34995 2/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNB3 Q8WWL7 1/20 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
SCHEMBL32667951 1.00 MTNR1A (0.44) MTNR1AMTNR1BGSK3BDYRK1APTGER1
SCHEMBL23104047 0.86 GSK3B (0.42) GSK3BDYRK1APTGER1CYP2C9BCL2
SCHEMBL29736396 0.86 GSK3B (0.42) GSK3BDYRK1APTGER1CYP2C9BCL2
SCHEMBL23107157 0.84 AAK1 (0.43) GSK3BDYRK1APTGER1CYP2C9BCL2
SCHEMBL16905389 0.80 GSK3B (0.46) GSK3BDYRK1APTGER1CYP2C9BCL2
SCHEMBL30107231 0.80 GSK3B (0.46) GSK3BDYRK1APTGER1CYP2C9BCL2
SCHEMBL29773999 0.78 GSK3B (0.42) GSK3BDYRK1APTGER1CYP2C9NPC1
SCHEMBL25347433 0.77 GSK3B (0.44) MTNR1AMTNR1BGSK3BDYRK1AMEN1
SCHEMBL27067137 0.77 GSK3B (0.44) GSK3BDYRK1ABCL2AAK1MAPK1
SCHEMBL31511994 0.77 GSK3B (0.46) GSK3BDYRK1APTGER1CYP2C9BCL2

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
CN-121426741-A Synthesis method of 2- (5-bromo-2- ((tert-butoxycarbonyl) amino) pyridin-4-yl) acetic acid tert-butyl ester 上海毕得医药科技股份有限公司 2026-01-30 CN disclosed
CN-121426741-A Synthesis method of 2- (5-bromo-2- ((tert-butoxycarbonyl) amino) pyridin-4-yl) acetic acid tert-butyl ester 上海毕得医药科技股份有限公司 2026-01-30 CN disclosed