SCHEMBL29879676

SCHEMBL29879676

Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC6CC6C5=O)c4n3)ncn2)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 19/20 0.33
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL29879310 1.00 MAP4K1 (0.33) MAP4K1MAPK14
SCHEMBL29879669 1.00 MAP4K1 (0.33) MAP4K1MAPK14
SCHEMBL29879492 1.00 MAP4K1 (0.33) MAP4K1MAPK14
SCHEMBL29879729 1.00 MAP4K1 (0.33) MAP4K1MAPK14
SCHEMBL29879571 1.00 MAP4K1 (0.33) MAP4K1MAPK14
SCHEMBL24739200 1.00 MAP4K1 (0.33) MAP4K1MAPK14
SCHEMBL24738516 0.89 MAP4K1 (0.34) MAP4K1
SCHEMBL24737695 0.89 MAP4K1 (0.34) MAP4K1MAPK14
SCHEMBL24737698 0.89 MAP4K1 (0.34) MAP4K1MAPK14
SCHEMBL29879708 0.89 MAP4K1 (0.34) MAP4K1MAPK14

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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