SCHEMBL24375495

SCHEMBL24375495

Cc1csc(N2CCOCC2C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.41
ATR Q13535 7/20 0.40
ATRIP Q8WXE1 5/20 0.40
CHEK1 O14757 4/20 0.40
PDCD1 Q15116 4/20 0.40
CD274 Q9NZQ7 4/20 0.40
PIK3C3 Q8NEB9 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4D Q08499 2/20 0.40
MTOR P42345 6/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21889136 0.84 LMNA (0.61) IRAK4ATRATRIPCHEK1PDCD1
SCHEMBL24375533 0.84 MTOR (0.44) IRAK4ATRATRIPCHEK1PDCD1
SCHEMBL28003505 0.81 ATR (0.46) IRAK4ATRATRIPCHEK1PDCD1
SCHEMBL13634271 0.81 IRAK4 (0.39) IRAK4ATRATRIPCHEK1PDCD1
SCHEMBL28907413 0.80 L3MBTL1 (0.40) IRAK4ATRATRIPCHEK1PDCD1
SCHEMBL10278349 0.79 IRAK4 (0.51) IRAK4PIK3C3MTORPIK3CASMN1; SMN2
SCHEMBL20594891 0.79 IRAK4 (0.51) IRAK4PIK3C3MTORPIK3CASMN1; SMN2
SCHEMBL13162764 0.79 MTOR (0.41) IRAK4ATRPIK3C3PDE4DMTOR
SCHEMBL3545517 0.78 PDK1 (0.39) LMNAL3MBTL1MTORPIK3CASMN1; SMN2
SCHEMBL3556057 0.76 L3MBTL1 (0.46) LMNAL3MBTL1SMN1; SMN2

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