SCHEMBL21947755

SCHEMBL21947755

NC(=O)c1ncc(N2CCCCC2)nc1Nc1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.55
▸ JAK3 P52333 12/20 0.55
▸ LCK P06239 11/20 0.55
▸ EGFR P00533 7/20 0.49

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
SCHEMBL18884592 0.89 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL23081118 0.83 LCK (0.54) BTKJAK3LCKEGFR
SCHEMBL18884637 0.83 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL20867876 0.82 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL25649437 0.82 JAK3 (0.57) BTKJAK3LCKEGFR
SCHEMBL25593539 0.81 BTK (0.49) BTKJAK3LCKEGFR
SCHEMBL16801813 0.81 JAK3 (0.70) BTKJAK3LCKEGFR
SCHEMBL21855218 0.81 JAK3 (0.86) BTKJAK3LCKEGFR
SCHEMBL21947754 0.81 JAK3 (0.86) BTKJAK3LCKEGFR
SCHEMBL28642920 0.81 JAK3 (0.86) BTKJAK3LCKEGFR

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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