SCHEMBL31053458

SCHEMBL31053458

C=CC(=O)Nc1ccc(CN2CCN(CC)CC2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.61
▸ HCK P08631 3/20 0.60
▸ NR2C2 P49116 2/20 0.60
▸ GCK P35557 1/20 0.60
▸ BTK Q06187 1/20 0.60
▸ RET P07949 4/20 0.60
▸ KDR P35968 3/20 0.60
▸ MKNK2 Q9HBH9 7/20 0.57
▸ MKNK1 Q9BUB5 6/20 0.57
▸ ABL1 P00519 4/20 0.57
▸ BCR P11274 4/20 0.57
▸ EGFR P00533 2/20 0.54
▸ CLK1 P49759 2/20 0.54
▸ STK25 O00506 1/20 0.54
▸ CIT O14578 1/20 0.54
▸ MAP2K7 O14733 1/20 0.54
▸ IKBKB O14920 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ CHUK O15111 1/20 0.54

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
SCHEMBL31053443 0.91 FGFR4 (0.71) FGFR4ABL1EGFRKITSRC
SCHEMBL17208644 0.86 RET (0.64) FGFR4HCKRETKDRMKNK2
SCHEMBL14704589 0.86 MKNK2 (0.65) FGFR4HCKRETKDRMKNK2
SCHEMBL27088109 0.86 RET (0.64) FGFR4HCKRETKDRMKNK2
SCHEMBL16380144 0.85 RET (0.63) FGFR4HCKNR2C2RETKDR
SCHEMBL15785403 0.85 MKNK2 (0.65) FGFR4HCKNR2C2GCKRET
SCHEMBL3182950 0.85 RET (0.63) FGFR4HCKRETKDRMKNK2
SCHEMBL16587846 0.84 RET (0.68) FGFR4HCKRETKDRMKNK2
SCHEMBL12516824 0.84 RET (0.62) FGFR4HCKRETKDRMKNK2
SCHEMBL14704625 0.81 RET (0.59) FGFR4HCKRETKDRMKNK2

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-118530209-A Piperine derivative with antitumor activity and preparation method, pharmaceutical composition and application thereof 江苏海洋大学 2024-08-23 — — CN disclosed
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