SCHEMBL29197336

SCHEMBL29197336

C=CC(=O)N1CC([CH]C)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 7/20 0.34
▸ JAK3 P52333 6/20 0.33
▸ ACHE P22303 3/20 0.33
▸ TET3 O43151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FBXL19 Q6PCT2 1/20 0.31
▸ CXXC5 Q7LFL8 1/20 0.31
▸ TET1 Q8NFU7 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ CXXC4 Q9H2H0 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ BTK Q06187 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ BLK P51451 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TEAD1 P28347 1/20 0.31

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
SCHEMBL27906966 0.80 KRAS (0.35) KRASJAK3ACHETET3KMT2A
SCHEMBL10138954 0.77 — —
SCHEMBL17443386 0.75 — —
SCHEMBL25205555 0.74 JAK3 (0.45) JAK3ACHEKMT2AALDH1A1
SCHEMBL18232330 0.74 TEAD1 (0.36) KRASJAK3ACHETET3KMT2A
SCHEMBL21393276 0.73 TEAD1 (0.36) KRASJAK3ACHETET3KMT2A
SCHEMBL9464253 0.73 KRAS (0.36) KRASJAK3ACHETET3KMT2A
SCHEMBL22212872 0.73 — —
SCHEMBL22631197 0.73 CHRNB2 (0.38) KRASJAK3
SCHEMBL16385269 0.73 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940425-A HER2 mutation inhibitors 阿雷生物药品公司 2024-04-26 — — CN claimed
CN-117940425-A HER2 mutation inhibitors 阿雷生物药品公司 2024-04-26 — — CN disclosed
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