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SCHEMBL30064070

SCHEMBL30064070

Cc1cc(-c2nn(C3CCCCO3)c3ncc(-c4ccc(C5(O)CCN(C(=O)OC(C)(C)C)CC5)cc4)cc23)ccc1[C@@H](C)NC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.34
▸ BTK Q06187 3/20 0.32
▸ SYK P43405 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ FGR P09769 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MINK1 Q8N4C8 1/20 0.31
▸ HDAC4 P56524 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
SCHEMBL26109545 1.00 KRAS (0.34) KRASBTKSYKAURKAFGR
SCHEMBL26109541 1.00 KRAS (0.34) KRASBTKSYKAURKAFGR
SCHEMBL23816067 0.91 KRAS (0.33) KRASBTKHDAC4
SCHEMBL30063513 0.91 KRAS (0.33) KRASBTKHDAC4
SCHEMBL26110984 0.91 KRAS (0.33) KRASBTKHDAC4
SCHEMBL23816135 0.80 BTK (0.33) BTKSYKHDAC4
SCHEMBL30063454 0.80 BTK (0.35) BTKAURKAFGRCYP2C9SRC
SCHEMBL26117243 0.80 BTK (0.35) BTKAURKAFGRCYP2C9SRC
SCHEMBL26117250 0.80 BTK (0.35) BTKAURKAFGRCYP2C9SRC
SCHEMBL26114422 0.80 HDAC4 (0.35) KRASBTKHDAC4

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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