SCHEMBL24834042

SCHEMBL24834042

COc1cc(C#N)c(C)nc1N1CCCC(N2CCN(C)C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ LCK P06239 5/20 0.37
▸ JAK3 P52333 5/20 0.37
▸ BTK Q06187 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DPP4 P27487 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ KDM1A O60341 3/20 0.35
▸ HPGD P15428 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL30827930 0.90 KDM4E (0.38) KDM4EKMT2AHSD17B10MEN1CASP1
SCHEMBL24834051 0.90 KDM4E (0.38) KDM4EKMT2AHSD17B10MEN1CASP1
SCHEMBL24833595 0.77 JAK3 (0.43) LCKJAK3BTKEGFR
SCHEMBL24833597 0.77 JAK3 (0.40) LCKJAK3BTKDPP4KDM1A
SCHEMBL30160897 0.73 JAK3 (0.48) LCKJAK3BTKEGFR
SCHEMBL30160648 0.71 JAK3 (0.42) LCKJAK3BTKEGFR
SCHEMBL24833599 0.71 JAK3 (0.42) LCKJAK3BTKEGFR
SCHEMBL31097402 0.71 JAK3 (0.37) LCKJAK3BTKEGFR
SCHEMBL30356545 0.68 JAK3 (0.48) LCKJAK3BTKEGFR
SCHEMBL24833582 0.68 JAK3 (0.37) LCKJAK3BTKEGFR

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-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 — — WO disclosed
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