SCHEMBL24375533

SCHEMBL24375533

CC1COCCN1c1nc(N)cs1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.44
PIK3CA P42336 17/20 0.44
RPTOR Q8N122 11/20 0.44
MLST8 Q9BVC4 11/20 0.44
PIK3R1 P27986 9/20 0.43
RICTOR Q6R327 7/20 0.42
MAPKAP1 Q9BPZ7 7/20 0.42
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
PIK3C3 Q8NEB9 3/20 0.42
CHEK1 O14757 1/20 0.41
ATR Q13535 1/20 0.41
PDCD1 Q15116 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL24375495 0.84 IRAK4 (0.41) MTORPIK3CAPIK3R1PIK3C3CHEK1
SCHEMBL21889136 0.80 LMNA (0.61) MTORPIK3CAPIK3R1PIK3CDPIK3C3
SCHEMBL28003505 0.80 ATR (0.46) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL13634271 0.80 IRAK4 (0.39) MTORPIK3CARPTORMLST8PIK3R1
SCHEMBL13162764 0.78 MTOR (0.41) MTORPIK3C3ATRIRAK4
SCHEMBL20594891 0.78 IRAK4 (0.51) MTORPIK3CAPIK3C3IRAK4
SCHEMBL10278349 0.78 IRAK4 (0.51) MTORPIK3CAPIK3C3IRAK4
SCHEMBL20594858 0.75 IRAK4 (0.51) MTORPIK3CAIRAK4
SCHEMBL20243714 0.73 LMNA (0.58)
SCHEMBL3550195 0.72 IRAK4 (0.47) PIK3CAPIK3R1IRAK4

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
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed