SCHEMBL17210286

SCHEMBL17210286

COc1cccc(Nc2nc(NC3CCC(N4CCOCC4)CC3)c3c4c(sc3n2)CCC4)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.50
IRAK4 Q9NWZ3 14/20 0.45
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PAK4 O96013 1/20 0.42
PAK1 Q13153 1/20 0.42

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
SCHEMBL15868367 1.00 MKNK1 (0.50) MKNK1IRAK4RXFP1ALDH1A1MAPT
SCHEMBL15862772 0.90 IRAK4 (0.48) MKNK1IRAK4MAPT
SCHEMBL15862770 0.90 IRAK4 (0.48) MKNK1IRAK4MAPT
SCHEMBL15862660 0.88 MAPT (0.49) MKNK1IRAK4MAPT
SCHEMBL15862658 0.88 MAPT (0.49) MKNK1IRAK4MAPT
SCHEMBL15862477 0.88 IRAK4 (0.48) IRAK4ALDH1A1MAPT
SCHEMBL15862850 0.86 IRAK4 (0.48) IRAK4MAPT
SCHEMBL15868368 0.86 IRAK4 (0.48) IRAK4MAPT
SCHEMBL15862598 0.85 IRAK4 (0.51) IRAK4
SCHEMBL15862596 0.85 IRAK4 (0.51) IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751892-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2017-09-05 US disclosed
US-9175007-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-11-03 US disclosed