SCHEMBL29879606

SCHEMBL29879606

Cc1nc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)ncc1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 20/20 0.33

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
SCHEMBL29879867 0.91 MAP4K1 (0.30) MAP4K1
SCHEMBL24737973 0.91 MAP4K1 (0.30) MAP4K1
SCHEMBL29303035 0.91 MAP4K1 (0.31) MAP4K1
SCHEMBL29303026 0.90 MAP4K1 (0.34) MAP4K1
SCHEMBL24737695 0.89 MAP4K1 (0.34) MAP4K1
SCHEMBL29879708 0.89 MAP4K1 (0.34) MAP4K1
SCHEMBL24737698 0.89 MAP4K1 (0.34) MAP4K1
SCHEMBL29879199 0.89 MAP4K1 (0.34) MAP4K1
SCHEMBL29303007 0.89 MAP4K1 (0.34) MAP4K1
SCHEMBL24740047 0.88 MAP4K1 (0.33) 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
Send feedback