SCHEMBL30521377

SCHEMBL30521377

CC1CC(C(=O)NN)(c2cncc(Br)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ TAS1R2 Q8TE23 3/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36
▸ POLB P06746 3/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL25349283 1.00 KDM4E (0.43) KDM4ETAS1R3TAS1R1TAS1R2ITGA4
SCHEMBL30521518 0.86 POLB (0.41) KDM4ETAS1R3TAS1R1TAS1R2ITGA4
SCHEMBL25348648 0.86 POLB (0.41) KDM4ETAS1R3TAS1R1TAS1R2ITGA4
SCHEMBL31115373 0.85 POLB (0.37) KDM4ETAS1R3TAS1R1TAS1R2ITGA4
SCHEMBL26102876 0.82 ITGA4 (0.39) KDM4ETAS1R3TAS1R1TAS1R2ITGA4
SCHEMBL25348541 0.82 KDM4E (0.46) KDM4ETAS1R3TAS1R1TAS1R2ITGA4
SCHEMBL31737974 0.80 ALDH1A1 (0.36) TAS1R3TAS1R1TAS1R2ITGA4ITGB7
SCHEMBL22832519 0.80 MAOB (0.41) HCAR2SMN1; SMN2MAPTALDH1A1MAOB
SCHEMBL25347993 0.78 MAOB (0.35) MAOB
SCHEMBL30521064 0.78 MAOB (0.35) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 — — EP disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 — — CN disclosed
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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