SCHEMBL29830223

SCHEMBL29830223

Clc1ncncc1NCc1cn2cc(C3CC3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ KLKB1 P03952 18/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL27030418 1.00 METTL3 (0.43) METTL3KLKB1KDM4ETP53
SCHEMBL24729459 0.79 KLKB1 (0.42) METTL3KLKB1
SCHEMBL30997765 0.79 METTL3 (0.43) METTL3KLKB1
SCHEMBL29136738 0.79 METTL3 (0.43) METTL3KLKB1KDM4ETP53
SCHEMBL29879253 0.78 KLKB1 (0.43) METTL3KLKB1KDM4ETP53
SCHEMBL24737872 0.78 KLKB1 (0.43) METTL3KLKB1KDM4ETP53
SCHEMBL24729466 0.77 METTL3 (0.44) METTL3KLKB1KDM4ETP53
SCHEMBL29879114 0.77 METTL3 (0.44) METTL3KLKB1KDM4ETP53
SCHEMBL29958504 0.76 KLKB1 (0.44) METTL3KLKB1KDM4ETP53
SCHEMBL27033535 0.76 KLKB1 (0.44) METTL3KLKB1KDM4ETP53

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-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197789-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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