SCHEMBL29958066

SCHEMBL29958066

Cc1cc(C#N)cc(C)c1CNc1cc(OCc2cn3cc(C4CC4)ccc3n2)nc(C(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.36
▸ METTL3 Q86U44 2/20 0.35
▸ EED O75530 1/20 0.32
▸ RBBP4 Q09028 1/20 0.32
▸ SUZ12 Q15022 1/20 0.32
▸ EZH2 Q15910 1/20 0.32
▸ AEBP2 Q6ZN18 1/20 0.32
▸ CETP P11597 1/20 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
SCHEMBL27033344 1.00 KLKB1 (0.36) KLKB1METTL3EEDRBBP4SUZ12
SCHEMBL29174288 0.91 KLKB1 (0.38) KLKB1METTL3
SCHEMBL29957965 0.85 KLKB1 (0.36) KLKB1METTL3
SCHEMBL27033970 0.85 KLKB1 (0.36) KLKB1METTL3
SCHEMBL27033983 0.84 KLKB1 (0.37) KLKB1METTL3
SCHEMBL29958146 0.84 KLKB1 (0.37) KLKB1METTL3
SCHEMBL27033856 0.84 KLKB1 (0.35) KLKB1METTL3
SCHEMBL29958373 0.84 KLKB1 (0.35) KLKB1METTL3
SCHEMBL29958191 0.81 KLKB1 (0.38) KLKB1METTL3
SCHEMBL27033449 0.81 KLKB1 (0.38) KLKB1METTL3

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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