SCHEMBL29880319

SCHEMBL29880319

Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.39
▸ METTL3 Q86U44 1/20 0.38
▸ LRRK2 Q5S007 7/20 0.38
▸ ABL1 P00519 3/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ MAP4K1 Q92918 5/20 0.36

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
SCHEMBL24737727 1.00 KLKB1 (0.39) KLKB1METTL3LRRK2ABL1TYK2
SCHEMBL29137010 0.91 KLKB1 (0.39) KLKB1METTL3LRRK2ABL1MAP4K1
SCHEMBL29137006 0.91 KLKB1 (0.39) KLKB1METTL3LRRK2ABL1MAP4K1
SCHEMBL29880230 0.91 KLKB1 (0.39) KLKB1METTL3LRRK2ABL1MAP4K1
SCHEMBL29302960 0.91 KLKB1 (0.39) KLKB1METTL3LRRK2ABL1MAP4K1
SCHEMBL24737893 0.87 KLKB1 (0.36) KLKB1METTL3LRRK2ABL1TYK2
SCHEMBL29879716 0.87 KLKB1 (0.36) KLKB1METTL3LRRK2ABL1TYK2
SCHEMBL29829825 0.86 KLKB1 (0.35) KLKB1METTL3LRRK2ABL1TYK2
SCHEMBL27030047 0.86 KLKB1 (0.35) KLKB1METTL3LRRK2ABL1TYK2
SCHEMBL24738308 0.85 KLKB1 (0.39) KLKB1METTL3TYK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
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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