SCHEMBL29533768

SCHEMBL29533768

CC(C)(C)c1noc(C(=O)N[C@H]2CCCCc3cc(-c4ccnc(NC(=O)C5CC5(F)F)c4)ccc32)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.61
▸ CD69 Q07108 4/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ KCNH2 Q12809 1/20 0.52
▸ AURKA O14965 1/20 0.52
▸ FGR P09769 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MINK1 Q8N4C8 1/20 0.52

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
SCHEMBL22659529 1.00 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL22659795 1.00 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL22659454 1.00 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL29533156 1.00 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL29533313 1.00 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL22659515 0.93 BTK (0.62) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL29533265 0.93 BTK (0.62) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL22659518 0.93 BTK (0.62) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL22659672 0.93 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2
SCHEMBL22659631 0.93 BTK (0.61) BTKCD69CYP2C9CYP3A4KCNH2

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
EP-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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