SCHEMBL29532906

SCHEMBL29532906

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.51
▸ LCK P06239 1/20 0.44
▸ GSK3B P49841 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TYK2 P29597 3/20 0.42
▸ ACVRL1 P37023 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL22659580 1.00 BTK (0.51) BTKLCKGSK3BKDM4EMAPT
SCHEMBL22664846 0.91 BTK (0.51) BTKLCKGSK3B
Hydrochloric Acid SCHEMBL22659441 0.90 BTK (0.51) BTKLCKGSK3B
Hydrochloric Acid SCHEMBL29533241 0.90 BTK (0.51) BTKLCKGSK3B
SCHEMBL22659505 0.88 BTK (0.55) BTKLCKGSK3BMAPT
SCHEMBL29532936 0.88 BTK (0.55) BTKLCKGSK3BMAPT
SCHEMBL29533277 0.87 BTK (0.52) BTKLCKGSK3BPIK3C3CDK9
SCHEMBL22660078 0.87 BTK (0.52) BTKLCKGSK3BPIK3C3CDK9
SCHEMBL22659996 0.86 BTK (0.49) BTKLCKGSK3BPIK3C3
SCHEMBL29533390 0.86 BTK (0.49) BTKLCKGSK3BPIK3C3

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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