SCHEMBL28645085

SCHEMBL28645085

Nc1cc(Br)cc2c1NC(=O)CC1(CCOCC1)O2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 2/20 0.32

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
SCHEMBL28634036 0.84 RAF1 (0.34) RAF1
SCHEMBL30016918 0.84 RAF1 (0.34) RAF1
SCHEMBL30016449 0.80 CA1 (0.37) RAF1
SCHEMBL28636675 0.80 CA1 (0.37) RAF1
SCHEMBL30016595 0.76 RAF1 (0.44) RAF1
SCHEMBL28626070 0.76 RAF1 (0.44) RAF1
SCHEMBL30016638 0.68 RAF1 (0.38) RAF1
SCHEMBL28636275 0.68 RAF1 (0.38) RAF1
SCHEMBL28628147 0.67 CA1 (0.48) RAF1
SCHEMBL30016347 0.66 BRD4 (0.42) RAF1

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
CN-113264945-B Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 — — CN disclosed
CN-113264945-A Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-08-17 — — CN disclosed
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