SCHEMBL26220670

SCHEMBL26220670

C=CC(=O)Nc1cc2ccn(Cc3ccc(C(F)(F)F)cc3)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
KCNQ4 P56696 2/20 0.50
KCNQ5 Q9NR82 2/20 0.50
FGFR1 P11362 6/20 0.45
FGFR4 P22455 6/20 0.45
TGM2 P21980 1/20 0.43
TEAD1 P28347 2/20 0.43
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
MAOB P27338 1/20 0.40
GSTO1 P78417 1/20 0.40
KRAS P01116 1/20 0.39
ERBB2 P04626 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL31336519 1.00 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL26220303 0.80 FGFR1 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL31336552 0.80 FGFR1 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL26220500 0.80 FGFR1 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL30628654 0.80 TGM2 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL23902686 0.80 KCNQ3 (0.66) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL31336574 0.80 FGFR1 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL30241388 0.80 KCNQ3 (0.66) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL26630293 0.80 TGM2 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1
SCHEMBL26220672 0.73 TGM2 (0.49) KCNQ3KCNQ2KCNQ4KCNQ5FGFR1

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-2023166450-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2023-09-07 WO disclosed