SCHEMBL28856920

SCHEMBL28856920

Cc1cc(Nc2nc(N3CCC[C@@H](OC(N)=O)C3)cnc2C#N)sn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.54
▸ JAK3 P52333 8/20 0.54
▸ LCK P06239 7/20 0.54
▸ EGFR P00533 2/20 0.40
▸ AURKB Q96GD4 7/20 0.37
▸ JAK2 O60674 6/20 0.37
▸ ABL1 P00519 6/20 0.37
▸ KDR P35968 6/20 0.37
▸ STAT3 P40763 6/20 0.37
▸ GSK3B P49841 6/20 0.37
▸ AURKA O14965 1/20 0.36

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
SCHEMBL28856922 1.00 BTK (0.54) BTKJAK3LCKEGFRAURKB
SCHEMBL28856953 0.87 BTK (0.70) BTKJAK3LCKEGFR
SCHEMBL28856948 0.87 BTK (0.70) BTKJAK3LCKEGFR
SCHEMBL22346834 0.84 BTK (0.63) BTKJAK3LCKEGFR
SCHEMBL22346831 0.84 BTK (0.63) BTKJAK3LCKEGFR
SCHEMBL22359022 0.81 JAK3 (0.66) BTKJAK3LCKEGFRAURKB
SCHEMBL29556712 0.81 JAK3 (0.66) BTKJAK3LCKEGFRAURKB
SCHEMBL28856906 0.81 JAK3 (0.47) BTKJAK3LCKEGFR
SCHEMBL28856908 0.81 JAK3 (0.47) BTKJAK3LCKEGFR
SCHEMBL28856965 0.79 JAK3 (0.54) BTKJAK3LCKEGFRJAK2

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-115003304-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 纽力克斯治疗公司 2022-09-02 — — CN disclosed
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