SCHEMBL21855166

SCHEMBL21855166

NC(=O)c1ncc(N2CCC(F)(F)[C@H](CO)C2)nc1Nc1ccc(C2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.63
▸ BTK Q06187 16/20 0.63
▸ LCK P06239 15/20 0.63
▸ EGFR P00533 8/20 0.63

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
SCHEMBL21947742 1.00 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL21855199 0.85 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL28653131 0.85 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL31039883 0.85 JAK3 (0.63) JAK3BTKLCKEGFR
SCHEMBL21946806 0.85 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL21855216 0.85 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL21946809 0.85 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL21946759 0.84 JAK3 (0.64) JAK3BTKLCKEGFR
SCHEMBL31039901 0.84 JAK3 (0.64) JAK3BTKLCKEGFR
SCHEMBL21946364 0.84 JAK3 (0.73) JAK3BTKLCKEGFR

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
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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