SCHEMBL30827930

SCHEMBL30827930

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ JAK3 P52333 9/20 0.36
▸ LCK P06239 7/20 0.36
▸ BTK Q06187 3/20 0.36
▸ DPP4 P27487 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL24834051 1.00 KDM4E (0.38) KDM4EMEN1NPC1TP53ALOX15
SCHEMBL24834042 0.90 KDM4E (0.39) KDM4EMEN1NPC1TP53ALOX15
SCHEMBL24833597 0.87 JAK3 (0.40) JAK3LCKBTKDPP4KDM1A
SCHEMBL30160648 0.78 JAK3 (0.42) JAK3LCKBTKEGFR
SCHEMBL24833599 0.78 JAK3 (0.42) JAK3LCKBTKEGFR
SCHEMBL24833582 0.74 JAK3 (0.37) JAK3LCKBTKEGFR
SCHEMBL16764192 0.72 JAK3 (0.53) JAK3LCKBTKEGFR
SCHEMBL16764194 0.72 JAK3 (0.53) JAK3LCKBTKEGFR
SCHEMBL29871862 0.72 JAK3 (0.53) JAK3LCKBTKEGFR
SCHEMBL30160897 0.72 JAK3 (0.48) JAK3LCKBTKEGFR

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
EP-4342892-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2024-03-27 — — EP disclosed
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