SCHEMBL31465342

SCHEMBL31465342

COC(=O)[C@H](C)Oc1cnc2c(Br)cnn2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
CDK1 P06493 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL13822288 0.76 KDR (0.68) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL31465408 0.75 KIT (0.42) NTRK1MEN1MAPTKMT2AALDH2
SCHEMBL2227680 0.75 PLK4 (0.48) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL30065084 0.72 MEN1 (0.41) MKNK2MEN1MAPTKMT2AALDH2
SCHEMBL6640497 0.68 KMT2A (0.49) MEN1MAPTKMT2AALDH2L3MBTL1
SCHEMBL31465372 0.68 L3MBTL1 (0.43) MEN1MAPTKMT2AALDH2L3MBTL1
SCHEMBL2284618 0.67 PRKAB2 (0.65) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL16111648 0.67 MAP4K4 (0.43) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL16112670 0.65 PRKAB2 (0.50) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL31638065 0.65 MEN1 (0.44) MEN1MAPTKMT2AALDH2L3MBTL1

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-2025068090-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2025-04-03 WO disclosed