SCHEMBL26107784

SCHEMBL26107784

Nc1ncnc2c1c(-c1ncccn1)c(C1=CCC3(CC1)CCN(C=CC=O)CC3)n2CCO

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.30
▸ RPS6KA3 P51812 2/20 0.30
▸ VCP P55072 2/20 0.30
▸ YES1 P07947 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ EPHA2 P29317 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
SCHEMBL26105475 0.88 LRRK2 (0.32) —
SCHEMBL26109143 0.86 BUB1 (0.31) —
SCHEMBL26105910 0.84 — —
SCHEMBL26588988 0.84 JAK2 (0.37) —
SCHEMBL30582509 0.84 JAK2 (0.37) —
SCHEMBL26109831 0.80 CYP3A4 (0.33) —
SCHEMBL26109348 0.80 — —
SCHEMBL26107398 0.79 — —
SCHEMBL26108735 0.78 RET (0.31) —
SCHEMBL26109577 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO claimed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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