SCHEMBL28574044

SCHEMBL28574044

O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(NC3CCN(CC4CCN(C(=O)O)CC4)CC3)c12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.73
▸ LCK P06239 1/20 0.65
▸ YES1 P07947 1/20 0.65
▸ PTK6 Q13882 1/20 0.65

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
SCHEMBL28574056 0.96 BTK (0.72) BTK
SCHEMBL28574632 0.96 BTK (0.67) BTKLCKYES1PTK6
SCHEMBL28579291 0.95 BTK (0.74) BTK
SCHEMBL29106903 0.93 BTK (0.83) BTKLCKYES1PTK6
SCHEMBL28568486 0.92 BTK (0.74) BTKLCKYES1PTK6
SCHEMBL29536186 0.92 BTK (0.74) BTKLCKYES1PTK6
SCHEMBL28573023 0.91 BTK (0.75) BTKLCKYES1PTK6
SCHEMBL28574340 0.91 BTK (0.68) BTK
SCHEMBL28582171 0.91 BTK (0.68) BTK
SCHEMBL29535938 0.89 BTK (0.72) BTKLCKYES1PTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812100-B Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2022-04-05 — — CN disclosed
CN-112812100-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-05-18 — — CN disclosed
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