SCHEMBL22904751

SCHEMBL22904751

CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(I)c2c(N)nccn12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.50
TNK2 Q07912 6/20 0.42

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
SCHEMBL20415459 0.89 BTK (0.50) BTKTNK2
SCHEMBL20415461 0.89 BTK (0.50) BTKTNK2
SCHEMBL22904753 0.89 BTK (0.41) BTKTNK2
SCHEMBL30565860 0.81 BTK (0.51) BTKTNK2
SCHEMBL20415415 0.81 BTK (0.76) BTKTNK2
SCHEMBL21461770 0.81 BTK (0.76) BTKTNK2
SCHEMBL21469330 0.80 BTK (0.78) BTKTNK2
SCHEMBL21461728 0.80 BTK (0.41) BTKTNK2
SCHEMBL21469364 0.78 BTK (0.76) BTK
SCHEMBL26791466 0.75 TNK2 (0.45) BTKTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993871-B BTK inhibitors containing 5-azacycloheptane 正大天晴药业集团股份有限公司 2023-08-01 CN disclosed
WO-2021008441-A1 BTK INHIBITOR CONTAINING 5-AZASPIROHEPTANE 正大天晴药业集团股份有限公司 2021-01-21 WO disclosed