SCHEMBL29536127

SCHEMBL29536127

O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(NC3CCN(C4CCNCC4)CC3)c12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.77
▸ LCK P06239 1/20 0.68
▸ YES1 P07947 1/20 0.68
▸ PTK6 Q13882 1/20 0.68

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
Trifluoroacetic Acid SCHEMBL28574338 0.96 BTK (0.71) BTKLCKYES1PTK6
SCHEMBL29536399 0.93 BTK (0.78) BTKLCKYES1PTK6
SCHEMBL28575347 0.92 BTK (0.68) BTKLCKYES1PTK6
SCHEMBL29536062 0.92 BTK (0.68) BTKLCKYES1PTK6
SCHEMBL24734971 0.92 BTK (0.87) BTKLCKYES1PTK6
SCHEMBL29536272 0.92 BTK (0.87) BTKLCKYES1PTK6
Hydrochloric Acid SCHEMBL29106909 0.91 BTK (0.85) BTKLCKYES1PTK6
Hydrochloric Acid SCHEMBL29841443 0.91 BTK (0.85) BTKLCKYES1PTK6
SCHEMBL29536988 0.90 BTK (0.74) BTK
Trifluoroacetic Acid SCHEMBL28577105 0.89 BTK (0.70) 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-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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