SCHEMBL31474552

SCHEMBL31474552

CC(C)n1cc(C(N)=O)c2nc(C=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 12/20 0.40
▸ CCR1 P32246 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ EGFR P00533 2/20 0.34
▸ ACACB O00763 3/20 0.34
▸ ACACA Q13085 3/20 0.34
▸ HCAR3 P49019 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
SCHEMBL30437103 0.82 FGFR4 (0.50) FGFR4CCR1
SCHEMBL30385795 0.77 KDM4E (0.48) PIM1TTKPIM2EGFRACACB
SCHEMBL28131951 0.66 OPRM1 (0.47) —
SCHEMBL15741992 0.65 NTRK1 (0.48) —
SCHEMBL15742078 0.63 EGFR (0.45) PIM1TTKPIM2EGFR
SCHEMBL28569830 0.62 MAP2K2 (0.37) EGFR
SCHEMBL25750400 0.61 TYK2 (0.40) PIM1TTKPIM2EGFR
SCHEMBL21996598 0.61 PIM1 (0.35) PIM1TTKPIM2EGFR
SCHEMBL2595072 0.60 PARP1 (0.43) —
SCHEMBL21912603 0.60 CCR1 (0.50) FGFR4CCR1PIM1

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-116102549-B 5-Aldehyde heterocyclic amide compound and application thereof 暨南大学 2025-02-11 — — CN claimed
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