SCHEMBL27418449

SCHEMBL27418449

COc1nccc2cc[nH]c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MELK Q14680 1/20 0.41
STK24 Q9Y6E0 1/20 0.41
CHEK1 O14757 3/20 0.38
LRRK2 Q5S007 4/20 0.35
BTK Q06187 1/20 0.35
PARP1 P09874 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CSNK2A1 P68400 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
DYRK1A Q13627 2/20 0.33
PIM1 P11309 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.32
APLNR P35414 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL31427032 0.75 ALDH1A1 (0.55) LRRK2BTKPARP1TLR8POLB
SCHEMBL1150533 0.75 PDPK1 (0.38) TLR8TLR7DYRK1APIM1DYRK2
SCHEMBL30593080 0.75 PDPK1 (0.38) TLR8TLR7DYRK1APIM1DYRK2
Hydrochloric Acid SCHEMBL31427020 0.74 ALDH1A1 (0.54) LRRK2BTKPARP1TLR8POLB
SCHEMBL14771286 0.74 CHEK1 (0.49) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL1944414 0.72
SCHEMBL1043404 0.69 KDM4E (0.44) MAPTMEN1KMT2A
SCHEMBL30386054 0.68 ALDH1A1 (0.58) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL29039486 0.68 ALDH1A1 (0.58) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL12336177 0.67 KCNA5 (0.51) MAPTMEN1KMT2A

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-2024126987-A1 INHIBITORY COMPOUNDS STORM THERAPEUTICS LIMITED (GB) 2024-06-20 WO disclosed