SCHEMBL29418487

SCHEMBL29418487

Cc1cc(-c2ccncc2N2CCCC(N(C)C(=O)OC(C)(C)C)C2)ccc1CNC(=O)c1nc(C(C)(C)C)no1.Cc1cc(-c2ccncc2N2CCCC(N(C)C(=O)OC(C)(C)C)C2)ccc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.44
▸ LCK P06239 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ KIF18A Q8NI77 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL29418749 1.00 BTK (0.44) BTKLCKPIK3CDKIF18AKDM4D
SCHEMBL25240201 0.92 BTK (0.44) BTKLCKKCNH2
SCHEMBL29418561 0.90 BTK (0.43) BTKLCK
SCHEMBL25270137 0.90 BTK (0.43) BTKLCK
SCHEMBL29418486 0.89 BTK (0.42) BTKLCKPIK3CDKIF18AKDM4D
SCHEMBL29418564 0.89 BTK (0.42) BTKLCKPIK3CDKIF18AKDM4D
SCHEMBL29418532 0.89 BTK (0.43) BTKLCKPIK3CDKIF18AKDM4D
SCHEMBL29418623 0.88 BTK (0.41) BTKPIK3CDKIF18AKDM4DRET
SCHEMBL29418646 0.88 BTK (0.41) BTKPIK3CDKIF18AKDM4DRET
SCHEMBL29418556 0.87 PIK3CD (0.40) BTKLCKPIK3CDKIF18AKDM4D

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
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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