SCHEMBL29136873

SCHEMBL29136873

CN1C(=O)CN(c2cc(C3CC3)cn3cc(CNc4cc(Cl)ncn4)nc23)C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.31

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
SCHEMBL29879417 1.00 KLKB1 (0.31) KLKB1
SCHEMBL24738288 0.90 — —
SCHEMBL30997786 0.90 — —
SCHEMBL24739093 0.90 — —
SCHEMBL24737563 0.89 CYP17A1 (0.34) KLKB1
SCHEMBL30997781 0.89 CYP17A1 (0.34) KLKB1
SCHEMBL24737810 0.88 — —
SCHEMBL29305550 0.87 MKNK1 (0.34) —
SCHEMBL24737697 0.86 BTK (0.33) KLKB1
SCHEMBL29879140 0.86 BTK (0.33) KLKB1

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-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
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