SCHEMBL21997396

SCHEMBL21997396

CC1CN(c2ccn3ncc(C(=O)O)c3n2)CC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 8/20 0.45
IRAK4 Q9NWZ3 12/20 0.44

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
SCHEMBL17781107 1.00 SMPD3 (0.45) SMPD3IRAK4
SCHEMBL21997749 1.00 SMPD3 (0.45) SMPD3IRAK4
SCHEMBL21996954 1.00 SMPD3 (0.45) SMPD3IRAK4
SCHEMBL26765532 0.91 SMPD3 (0.44) SMPD3IRAK4
SCHEMBL26765529 0.91 SMPD3 (0.44) SMPD3IRAK4
SCHEMBL21996924 0.87 SMPD3 (0.50) SMPD3IRAK4
SCHEMBL25338767 0.86 SMPD3 (0.46) SMPD3IRAK4
SCHEMBL25337143 0.86 SMPD3 (0.46) SMPD3IRAK4
SCHEMBL25338829 0.86 SMPD3 (0.46) SMPD3IRAK4
SCHEMBL23744414 0.85 ALDH1A1 (0.52) SMPD3IRAK4

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
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed