SCHEMBL29106903

SCHEMBL29106903

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

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.83
▸ LCK P06239 1/20 0.70
▸ YES1 P07947 1/20 0.70
▸ PTK6 Q13882 1/20 0.70

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
SCHEMBL28574044 0.93 BTK (0.73) BTKLCKYES1PTK6
SCHEMBL28574056 0.91 BTK (0.72) BTK
SCHEMBL28579291 0.91 BTK (0.74) BTK
SCHEMBL19898376 0.91 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL19898141 0.91 BTK (0.86) BTK
SCHEMBL29106913 0.91 BTK (0.86) BTK
SCHEMBL28574637 0.90 BTK (0.75) BTK
SCHEMBL29841457 0.90 BTK (0.75) BTK
SCHEMBL19898447 0.90 BTK (1.00) BTKLCKYES1PTK6
SCHEMBL19898001 0.89 BTK (0.92) 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-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
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