SCHEMBL29418443

SCHEMBL29418443

C=CC(=O)N1CCN(c2cncnc2-c2ccc(CNC(=O)c3cn(C(C)(C)C)nn3)c(C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.51
▸ CYP46A1 Q9Y6A2 1/20 0.40
▸ CRBN Q96SW2 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL25244549 1.00 BTK (0.51) BTKCYP46A1CRBNKLKB1KCNH2
SCHEMBL25214690 0.90 BTK (0.51) BTKCYP46A1CRBNKLKB1
SCHEMBL29418616 0.90 BTK (0.51) BTKCYP46A1CRBNKLKB1
SCHEMBL29418287 0.88 BTK (0.54) BTKCYP46A1CRBNKLKB1
SCHEMBL25224811 0.88 BTK (0.54) BTKCYP46A1CRBNKLKB1
SCHEMBL25267775 0.87 BTK (0.50) BTKCYP46A1CRBNKLKB1
SCHEMBL29418315 0.87 BTK (0.50) BTKCYP46A1CRBNKLKB1
SCHEMBL25211784 0.85 BTK (0.46) BTKCYP46A1
SCHEMBL29418518 0.85 BTK (0.46) BTKCYP46A1
SCHEMBL25249544 0.84 BTK (0.46) BTKCYP46A1CRBNKLKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 — — CN disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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