SCHEMBL30403831

SCHEMBL30403831

COC[C@H]1CC(c2ncc3c(N)ncnn23)CN1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ ACVRL1 P37023 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
SCHEMBL22695926 0.75 ACVRL1 (0.37) ACVRL1
SCHEMBL30402775 0.70 PRKACA (0.32) —
SCHEMBL22696164 0.68 FGFR2 (0.36) ACVRL1
SCHEMBL22691655 0.68 FGFR2 (0.36) ACVRL1
SCHEMBL26791488 0.66 TNK2 (0.46) —
SCHEMBL30408687 0.66 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL25557535 0.66 ACVRL1 (0.33) ACVRL1
Hydrochloric Acid SCHEMBL30263475 0.65 TNK2 (0.45) —
SCHEMBL8819712 0.63 SRC (0.34) —
SCHEMBL29535247 0.63 MAP4K4 (0.30) —

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
CN-116096707-A Inhibitors of fibroblast growth factor receptor kinase 金耐特生物制药公司 2023-05-09 — — CN disclosed
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