SCHEMBL31616897

SCHEMBL31616897

CC(C)(C)OC(=O)N1CCn2nc(Br)c(-n3cc[nH]c3=O)c2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.34
▸ NR1H2 P55055 3/20 0.34
▸ F12 P00748 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ DTYMK P23919 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CYBB P04839 1/20 0.31
▸ NOX5 Q96PH1 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL24276951 0.81 CSNK1E (0.36) F12CSNK1E
SCHEMBL29308618 0.78 SETD7 (0.31) SPR
SCHEMBL31492977 0.77 MAPK1 (0.39) MAPK1NR1H2F12KCNH2ESR2
SCHEMBL31616837 0.74 NR1H2 (0.41) MAPK1NR1H2F12KCNH2ESR2
SCHEMBL26645063 0.74 NR1H2 (0.38) MAPK1NR1H2F12KCNH2ESR2
SCHEMBL31616823 0.71 KCNH2 (0.46) MAPK1NR1H2F12KCNH2ESR2
SCHEMBL28841851 0.71 F12 (0.36) NR1H2F12KDM4EALDH1A1DTYMK
SCHEMBL26645301 0.70 CSNK1D (0.44) MAPK1NR1H2ESR2MAPTALDH1A1
SCHEMBL30623067 0.70 JAK1 (0.43) MAPK1
SCHEMBL26645007 0.70 JAK1 (0.43) MAPK1

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-120136870-A GLP-1 receptor targeting compounds and uses thereof 信达生物科技有限公司 2025-06-13 — — CN disclosed
WO-2025119206-A1 GLP-1 RECEPTOR TARGETING COMPOUNDS AND USES THEREOF FORTVITA BIOLOGICS INC. (KY) 2025-06-12 — — WO disclosed
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