SCHEMBL30540552

SCHEMBL30540552

CC1(C)CNc2ccc(C(N)=O)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
NNMT P40261 1/20 0.34
IP6K1 Q92551 1/20 0.34
PARP1 P09874 3/20 0.33
SCN9A Q15858 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PARP2 Q9UGN5 2/20 0.32
LMNA P02545 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TSHR P16473 1/20 0.30
MC4R P32245 1/20 0.30
ADRA1A P35348 1/20 0.30
MC3R P41968 1/20 0.30

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
SCHEMBL24251669 0.83 MAPK1 (0.37) PARP1POLBGAA
SCHEMBL30540434 0.81 IP6K1 (0.36) PIM1NNMTIP6K1SCN9APOLB
SCHEMBL24251691 0.76
SCHEMBL20680846 0.74 CCR1 (0.32) GAA
SCHEMBL16441811 0.74
SCHEMBL30763482 0.73
SCHEMBL24996436 0.73
SCHEMBL24251724 0.72 CCR1 (0.37)
SCHEMBL20680771 0.70 KMT2A (0.36) NNMTPOLB
SCHEMBL29388981 0.70 KMT2A (0.36) NNMTPOLB

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