SCHEMBL30540477

SCHEMBL30540477

Cn1ccc2c(Cl)cc(C#N)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
KDM4E B2RXH2 2/20 0.34
RORC P51449 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KMO O15229 1/20 0.33
PSMB8 P28062 1/20 0.33
GRM2 Q14416 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 2/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 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
SCHEMBL20030902 1.00 PIM1 (0.44) PIM1KDM4ERORCMAPTALDH1A1
SCHEMBL30971118 0.81 PIM1 (0.32) PIM1KDM4EALDH1A1HRH4CTSS
SCHEMBL29697245 0.78 HRH4 (0.36) MAPTHRH4LMNA
SCHEMBL22024527 0.78 HRH4 (0.36) MAPTHRH4LMNA
SCHEMBL19953341 0.76 LMNA (0.44) KDM4EMAPTALDH1A1HRH4LMNA
SCHEMBL29598922 0.76 LMNA (0.44) KDM4EMAPTALDH1A1HRH4LMNA
SCHEMBL19260905 0.74 PSMB8 (0.42) PIM1KDM4EMAPTALDH1A1HPGD
SCHEMBL20030912 0.72 ESR2 (0.30)
SCHEMBL24373012 0.71 ALDH1A1 (0.35) KDM4EMAPTALDH1A1HPGDHRH4
SCHEMBL21663753 0.70 CDC7 (0.47) KDM4EMAPTALDH1A1LMNASMN1; SMN2

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-2023151636-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