SCHEMBL30540616

SCHEMBL30540616

NC(=O)c1ccc2c(n1)CCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
NNMT P40261 4/20 0.35
SCN9A Q15858 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
PDE4B Q07343 3/20 0.33
LMNA P02545 1/20 0.33
MAP3K14 Q99558 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM2 Q14416 1/20 0.32
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 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
SCHEMBL287974 0.80 MAPK1 (0.39) KDM4EMAPT
SCHEMBL757919 0.80 KDM4A (0.38) DRD2DRD4MAPTADRA1A
SCHEMBL19864574 0.76 KDM4E (0.47) LMNAKDM4EMAPTTSHRKMT2A
SCHEMBL20571533 0.75 MAPT (0.40) LMNAKDM4EMAPTTSHR
SCHEMBL20571845 0.74 P2RX7 (0.43) LMNAKDM4EMAPTADORA3KMT2A
SCHEMBL27061517 0.73 DRD2 (0.34) DRD2DRD4PDE4BLMNAKMT2A
SCHEMBL10207574 0.72 F10 (0.45)
SCHEMBL30916132 0.72 F10 (0.45)
SCHEMBL19928751 0.71 NNMT (0.49) PIM1NNMTSCN9ALMNAMAP3K14
SCHEMBL20571711 0.71 GAA (0.39) KDM4EMAPT

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 4 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-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed