SCHEMBL29879253

SCHEMBL29879253

Clc1cncc(NCc2cn3cc(C4CC4)ccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.43
▸ METTL3 Q86U44 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL24737872 1.00 KLKB1 (0.43) KLKB1METTL3KDM4ETP53
SCHEMBL24729466 0.81 METTL3 (0.44) KLKB1METTL3KDM4ETP53
SCHEMBL29879114 0.81 METTL3 (0.44) KLKB1METTL3KDM4ETP53
SCHEMBL30997805 0.80 METTL3 (0.42) KLKB1METTL3KDM4ETP53
SCHEMBL24739081 0.80 METTL3 (0.42) KLKB1METTL3KDM4ETP53
SCHEMBL29305098 0.78 METTL3 (0.42) KLKB1METTL3KDM4ETP53
SCHEMBL30997819 0.78 METTL3 (0.42) KLKB1METTL3KDM4ETP53
SCHEMBL30997765 0.78 METTL3 (0.43) KLKB1METTL3
SCHEMBL29958504 0.78 KLKB1 (0.44) KLKB1METTL3KDM4ETP53
SCHEMBL27033535 0.78 KLKB1 (0.44) KLKB1METTL3KDM4ETP53

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-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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