SCHEMBL29533943

SCHEMBL29533943

Cc1cc(-c2ccnc(NC(=O)[C@H]3C[C@H]3C)c2)ccc1CNC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.51
▸ LCK P06239 1/20 0.43
▸ TYK2 P29597 1/20 0.38
▸ MAP4K1 Q92918 3/20 0.37
▸ ABL1 P00519 2/20 0.37

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
SCHEMBL29533056 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL29533238 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL29533396 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL29533634 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL22660008 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL22659361 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL22659585 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL22659479 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL22659535 1.00 BTK (0.51) BTKLCKTYK2MAP4K1ABL1
SCHEMBL22659984 0.93 BTK (0.51) BTKLCKABL1

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
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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