SCHEMBL29702228

SCHEMBL29702228

COc1cc2c(=O)n(C)ncc2cc1O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 18/20 0.42
▸ KDR P35968 18/20 0.42
▸ EPHB4 P54760 17/20 0.42
▸ ERBB2 P04626 15/20 0.42
▸ FLT1 P17948 7/20 0.42
▸ EGFR P00533 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ PDE1C Q14123 1/20 0.37

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
SCHEMBL26100427 0.79 LRRK2 (0.50) KDRLRRK2
SCHEMBL29702360 0.79 LRRK2 (0.50) KDRLRRK2
SCHEMBL30544702 0.77 PDE4D (0.44) EPHA2KDREPHB4ERBB2LRRK2
SCHEMBL29702221 0.73 LRRK2 (0.48) KDRLRRK2
SCHEMBL25213735 0.69 LRRK2 (0.47) KDRLRRK2
SCHEMBL31083319 0.69 LRRK2 (0.44) KDRLRRK2
SCHEMBL29380274 0.69 LRRK2 (0.47) KDRLRRK2
SCHEMBL17076663 0.69 LRRK2 (0.47) KDRLRRK2
SCHEMBL25419464 0.67 LRRK2 (0.45) KDRLRRK2
SCHEMBL8596166 0.63 PDE10A (0.41) KDRLRRK2

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-114621186-A Heterocyclic compounds as modulators of RAS signaling pathway 上海维申医药有限公司 2022-06-14 — — CN disclosed
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