SCHEMBL29879496

SCHEMBL29879496

Cc1cc(NC(=O)[C@H]2C[C@@H]2c2nccc(C)n2)nc(OCc2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)n1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 20/20 0.34

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
SCHEMBL24737930 1.00 MAP4K1 (0.34) MAP4K1
SCHEMBL24739034 0.92 MAP4K1 (0.32) MAP4K1
SCHEMBL29879455 0.92 MAP4K1 (0.32) MAP4K1
SCHEMBL29879777 0.91 MAP4K1 (0.33) MAP4K1
SCHEMBL24737831 0.91 MAP4K1 (0.33) MAP4K1
SCHEMBL24738546 0.91 MAP4K1 (0.33) MAP4K1
SCHEMBL29879127 0.91 MAP4K1 (0.33) MAP4K1
SCHEMBL29879441 0.90 MAP4K1 (0.31) MAP4K1
SCHEMBL29303109 0.90 MAP4K1 (0.31) MAP4K1
SCHEMBL24737832 0.90 MAP4K1 (0.32) MAP4K1

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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