SCHEMBL22664858

SCHEMBL22664858

Cc1cc(-c2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.44
▸ MAP4K1 Q92918 3/20 0.41

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
SCHEMBL22664861 1.00 ABL1 (0.44) ABL1MAP4K1
SCHEMBL29533532 1.00 ABL1 (0.44) ABL1MAP4K1
SCHEMBL29533400 0.93 ABL1 (0.42) ABL1MAP4K1
SCHEMBL29532924 0.93 ABL1 (0.42) ABL1MAP4K1
SCHEMBL22659499 0.93 ABL1 (0.42) ABL1MAP4K1
SCHEMBL22659490 0.93 ABL1 (0.42) ABL1MAP4K1
SCHEMBL22660077 0.90 GSK3B (0.48) ABL1
SCHEMBL29533531 0.90 GSK3B (0.48) ABL1
SCHEMBL22659633 0.88 ABL1 (0.48) ABL1MAP4K1
SCHEMBL22659636 0.88 ABL1 (0.48) ABL1MAP4K1

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-2020232330-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2020-11-19 — — WO disclosed
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