SCHEMBL29676691

SCHEMBL29676691

Cc1cc(-c2ccnc(NC(=O)C3CCN(C)CC3)c2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.60
▸ GSK3B P49841 7/20 0.44
▸ DYRK1A Q13627 6/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ WNT1 P04628 3/20 0.43

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
SCHEMBL16793959 1.00 BTK (0.60) BTKGSK3BDYRK1AABL1WNT1
SCHEMBL22659930 0.95 BTK (0.63) BTKGSK3B
SCHEMBL29533721 0.95 BTK (0.63) BTKGSK3B
SCHEMBL16794047 0.83 BTK (0.58) BTK
SCHEMBL16793934 0.82 BTK (0.70) BTK
SCHEMBL25589530 0.80 BTK (0.57) BTK
SCHEMBL20461065 0.79 PIK3C3 (0.52) GSK3BDYRK1AABL1WNT1
SCHEMBL22659803 0.79 BTK (0.46) BTKGSK3BABL1
SCHEMBL29533303 0.79 BTK (0.46) BTKGSK3BABL1
SCHEMBL16793958 0.78 BTK (0.57) BTK

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
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 — — CN disclosed
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