SCHEMBL29879668

SCHEMBL29879668

Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5C[C@@H]6C[C@@H]6C5=O)c4n3)cnn2)n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.31
▸ MAP4K1 Q92918 17/20 0.31

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
SCHEMBL29879631 1.00 BTK (0.31) BTKMAP4K1
SCHEMBL24740039 1.00 BTK (0.31) BTKMAP4K1
SCHEMBL29879864 0.89 MAP4K1 (0.33) MAP4K1
SCHEMBL24737796 0.89 MAP4K1 (0.33) MAP4K1
SCHEMBL29878844 0.85 TYK2 (0.33) MAP4K1
SCHEMBL24738376 0.85 TYK2 (0.33) MAP4K1
SCHEMBL24739200 0.84 MAP4K1 (0.33) MAP4K1
SCHEMBL29879676 0.84 MAP4K1 (0.33) MAP4K1
SCHEMBL29879492 0.84 MAP4K1 (0.33) MAP4K1
SCHEMBL29879310 0.84 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
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