SCHEMBL21946728

SCHEMBL21946728

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CNC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.61
▸ BTK Q06187 14/20 0.61
▸ LCK P06239 16/20 0.60
▸ EGFR P00533 11/20 0.60

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
SCHEMBL21946711 0.90 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL26970118 0.90 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL29546793 0.90 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL18884597 0.90 JAK3 (0.71) JAK3BTKLCKEGFR
SCHEMBL21946364 0.89 JAK3 (0.73) JAK3BTKLCKEGFR
SCHEMBL31039881 0.89 JAK3 (0.73) JAK3BTKLCKEGFR
Hydrochloric Acid SCHEMBL25198852 0.88 JAK3 (0.72) JAK3BTKLCKEGFR
SCHEMBL21947880 0.87 BTK (0.57) JAK3BTKLCKEGFR
SCHEMBL25606965 0.87 JAK3 (0.67) JAK3BTKLCKEGFR
SCHEMBL18884583 0.86 JAK3 (0.66) 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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