SCHEMBL28915516

SCHEMBL28915516

Cc1cc(-c2nn(C3CCCCO3)c3ncc(-c4ccc(C5CCN(C(=O)O)CC5)cc4)cc23)ccc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.38
▸ LCK P06239 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CD69 Q07108 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL28915529 0.94 BTK (0.45) BTKLCKEGFR
SCHEMBL23816550 0.93 WNT3A (0.38) BTKLCKEGFR
SCHEMBL23816035 0.87 BTK (0.43) BTKLCKEGFR
SCHEMBL23816562 0.86 BTK (0.40) BTKLCKEGFRMAPT
SCHEMBL28961423 0.86 BTK (0.43) BTKLCKEGFR
SCHEMBL23815998 0.79 BTK (0.48) BTKLCKEGFR
SCHEMBL23816440 0.79 BTK (0.42) BTKLCKEGFR
SCHEMBL28915457 0.77 BTK (0.41) BTKEGFRMAPT
SCHEMBL26115894 0.76 BTK (0.42) BTKLCKEGFR
SCHEMBL23816068 0.75 BTK (0.44) BTKLCK

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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