SCHEMBL28637618

SCHEMBL28637618

COC(=O)N1CCN(c2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.62
▸ LCK P06239 9/20 0.62
▸ JAK3 P52333 14/20 0.60
▸ SYK P43405 2/20 0.54
▸ EGFR P00533 2/20 0.50

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
SCHEMBL24927490 0.91 LCK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL21946318 0.91 LCK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL31039906 0.91 LCK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL21855164 0.91 LCK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL18884637 0.90 BTK (0.64) BTKLCKJAK3SYKEGFR
SCHEMBL18296155 0.88 LCK (0.73) BTKLCKJAK3SYKEGFR
SCHEMBL18884550 0.85 JAK3 (0.62) BTKLCKJAK3SYK
SCHEMBL21946319 0.84 BTK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL21855202 0.84 BTK (0.59) BTKLCKJAK3SYKEGFR
SCHEMBL25605387 0.84 BTK (0.59) BTKLCKJAK3EGFR

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-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 — — CN disclosed
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