SCHEMBL23336720

SCHEMBL23336720

Cc1cc(-c2ccnn3cccc23)ccc1CNCc1nc(C(C)(C)C)no1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.32
▸ LCK P06239 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.30
▸ MAPT P10636 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
SCHEMBL23303632 0.82 BTK (0.49) BTKLCK
SCHEMBL23303883 0.75 BTK (0.54) BTKLCK
SCHEMBL23303943 0.73 BTK (0.39) BTKMAPT
SCHEMBL23304198 0.72 PRMT5 (0.38) —
SCHEMBL29840373 0.72 PCSK9 (0.39) BTK
SCHEMBL23337481 0.72 PCSK9 (0.39) BTK
SCHEMBL23303599 0.69 BTK (0.46) BTKLCK
Trifluoroacetic Acid SCHEMBL31679713 0.66 BTK (0.46) BTKLCK
SCHEMBL19891944 0.60 BTK (0.51) BTKLCK
SCHEMBL23337486 0.59 NPC1 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 — — WO disclosed
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