SCHEMBL30064460

SCHEMBL30064460

Cc1cc(-c2nn(C3CCCCO3)c3ncc(B4OC(C)(C)C(C)(C)O4)cc23)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.34
▸ CD69 Q07108 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL26117219 1.00 BTK (0.34) BTKCD69CYP3A4CYP2C9
SCHEMBL26117214 1.00 BTK (0.34) BTKCD69CYP3A4CYP2C9
SCHEMBL30063454 0.89 BTK (0.35) BTKCD69CYP3A4CYP2C9
SCHEMBL26117243 0.89 BTK (0.35) BTKCD69CYP3A4CYP2C9
SCHEMBL26117250 0.89 BTK (0.35) BTKCD69CYP3A4CYP2C9
SCHEMBL23816490 0.88 BTK (0.36) BTKCD69CYP3A4CYP2C9
SCHEMBL26115607 0.88 BTK (0.36) BTKCD69CYP3A4CYP2C9
SCHEMBL30063479 0.87 BTK (0.43) BTK
SCHEMBL26116685 0.87 BTK (0.43) BTK
SCHEMBL26114427 0.80 HDAC4 (0.35) 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-115335376-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitor with E3 ligase ligand and methods of use thereof 百济神州有限公司 2022-11-11 — — CN disclosed
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