SCHEMBL29958151

SCHEMBL29958151

O=C(COc1cc(Cl)ccc1-n1cnnn1)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.39
▸ IDH1 O75874 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ F11 P03951 2/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL27033946 1.00 KLKB1 (0.39) KLKB1IDH1MEN1KMT2AUSP2
SCHEMBL29957885 0.88 KLKB1 (0.39) KLKB1F11
SCHEMBL27033656 0.88 KLKB1 (0.39) KLKB1F11
SCHEMBL24729593 0.86 KLKB1 (0.39) KLKB1IDH1
SCHEMBL24729610 0.85 F2 (0.44) KLKB1
SCHEMBL24739069 0.84 KLKB1 (0.38) KLKB1F11
SCHEMBL24729615 0.84 KLKB1 (0.37) KLKB1F11
SCHEMBL29926995 0.84 KLKB1 (0.37) KLKB1F11
SCHEMBL29958776 0.80 KLKB1 (0.41) KLKB1F11
SCHEMBL27033952 0.80 KLKB1 (0.41) KLKB1F11

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
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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