SCHEMBL31546652

SCHEMBL31546652

NC(=O)c1cc2[nH]c3cnccc3c2cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 7/20 0.52
BRAF P15056 2/20 0.47
KIF11 P52732 1/20 0.47
MAP2 P11137 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 1/20 0.44
TOP1 P11387 1/20 0.44
GABRA1 P14867 1/20 0.44
IDO1 P14902 1/20 0.44
HPGD P15428 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL31546608 0.77 PARP1 (0.56) CHUKBRAFKIF11MAP2KDM4E
SCHEMBL31546614 0.75 ROCK2 (0.70) KDM4EALDH1A1ROCK2
SCHEMBL26347775 0.74 KDM5A (0.62) CHUKBRAFMAP2KDM4EGABRP
SCHEMBL31546654 0.72 ROCK2 (0.58) CHUKROCK2CDK5DYRK1A
SCHEMBL1797888 0.72 CHUK (0.59) CHUKBRAFKIF11KDM4EGABRP
SCHEMBL9149047 0.71 PIM1 (0.50) CHUKMAP2KDM4EGABRPGABRD
SCHEMBL5802216 0.71 CHUK (0.66) CHUKMAP2IKBKBPIM1
SCHEMBL30322777 0.71 CHUK (0.78) CHUKBRAFKIF11KDM4EGABRP
SCHEMBL12396541 0.71 CHUK (0.78) CHUKBRAFKIF11KDM4EGABRP
SCHEMBL1802006 0.71 CHUK (0.77) CHUKBRAFKIF11KDM4EGABRP

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-119899184-A Beta-carboline compound, preparation method thereof and application thereof in resisting Alzheimer disease 中国人民解放军北部战区总医院 2025-04-29 CN disclosed