SCHEMBL31303052

SCHEMBL31303052

CC(C)(C)OC(=O)Cc1cc2c(Br)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1H2 P55055 9/20 0.41
▸ MTNR1A P48039 4/20 0.40
▸ MTNR1B P49286 4/20 0.40
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ NR1H3 Q13133 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GABRG2 P18507 1/20 0.35

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
SCHEMBL19013504 0.88 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL18992345 0.86 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL29631844 0.86 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL30721518 0.81 NQO2 (0.45) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL2003127 0.79 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL19013036 0.77 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL20226388 0.76 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL19164253 0.76 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL19013560 0.73 NR1H2 (0.43) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL28817783 0.73 NR1H2 (0.43) CHRM2CHRM4CHRM1CHRM3NR1H2

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-2024258789-A1 MODULATORS OF CDK2 AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2024-12-19 — — WO disclosed
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