SCHEMBL29536272

SCHEMBL29536272

O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(NC3CCNCC3)c12

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.87
▸ LCK P06239 1/20 0.76
▸ YES1 P07947 1/20 0.76
▸ PTK6 Q13882 1/20 0.76

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
SCHEMBL24734971 1.00 BTK (0.87) BTKLCKYES1PTK6
Hydrochloric Acid SCHEMBL29841443 0.99 BTK (0.85) BTKLCKYES1PTK6
Hydrochloric Acid SCHEMBL29106909 0.99 BTK (0.85) BTKLCKYES1PTK6
SCHEMBL19898376 0.93 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL19898447 0.92 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL29536127 0.92 BTK (0.77) BTKLCKYES1PTK6
SCHEMBL21982163 0.92 BTK (0.88) BTKLCKYES1PTK6
SCHEMBL29536186 0.90 BTK (0.74) BTKLCKYES1PTK6
SCHEMBL28568486 0.90 BTK (0.74) BTKLCKYES1PTK6
SCHEMBL24734958 0.90 BTK (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117042769-A Substituted pyrrolopyrimidines and pyrazolopyrimidines as Bruton's Tyrosine Kinase (BTK) degrading agents 冰洲石生物科技公司 2023-11-10 — — CN disclosed
WO-2022169798-A2 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 — — WO disclosed
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
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