SCHEMBL31318227

SCHEMBL31318227

CNC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 18/20 0.67
▸ CYP3A4 P08684 6/20 0.67
▸ ABL1 P00519 2/20 0.44
▸ BTK Q06187 1/20 0.37
▸ ITK Q08881 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
SCHEMBL31318216 0.92 MAP4K1 (0.70) MAP4K1CYP3A4ABL1
SCHEMBL31318213 0.91 MAP4K1 (0.69) MAP4K1CYP3A4ABL1
SCHEMBL31318254 0.78 MAP4K1 (0.70) MAP4K1CYP3A4ABL1ITK
SCHEMBL31318241 0.77 MAP4K1 (0.81) MAP4K1CYP3A4ABL1
SCHEMBL13821698 0.73 MAP3K7 (0.46) ABL1BTKITK
SCHEMBL31318231 0.73 MAP4K1 (0.70) MAP4K1CYP3A4ABL1
SCHEMBL23101628 0.72 MAP4K1 (1.00) MAP4K1CYP3A4ABL1
SCHEMBL31318226 0.72 MAP4K1 (0.68) MAP4K1CYP3A4ABL1
SCHEMBL31318218 0.72 MAP4K1 (0.68) MAP4K1CYP3A4ABL1
SCHEMBL23101678 0.71 MAP4K1 (1.00) MAP4K1CYP3A4ABL1

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-118894852-A Polysubstituted indazole compound and preparation method and application thereof 甫康(上海)健康科技有限责任公司 2024-11-05 — — CN disclosed
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