SCHEMBL30059893

SCHEMBL30059893

C=CCOc1nn(C)c2cc(N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.39
▸ CRBN Q96SW2 2/20 0.39
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ LSS P48449 1/20 0.37
▸ GRM4 Q14833 11/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30060423 0.78 CNR2 (0.52) CNR1CNR2ACHE
SCHEMBL21000228 0.70 DDB1 (0.49) DDB1CRBNSCN9AALDH1A1
SCHEMBL5665856 0.70 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL20741057 0.70 GRM4 (0.63) GRM4
SCHEMBL20741060 0.70 GRM4 (0.63) GRM4
SCHEMBL30057426 0.69 ATM (0.37) CNR1CNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL8043123 0.69 CNR2 (0.74) CNR1CNR2ACHEALDH1A1HPGD
SCHEMBL3340760 0.69 ADORA2A (0.59) DDB1CRBNLSSGRM4ALDH1A1
SCHEMBL7822340 0.69 CNR2 (0.53) CNR1CNR2ACHE
SCHEMBL8001275 0.68 TTR (0.38) ALDH1A1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 — — WO disclosed
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