SCHEMBL25970271

SCHEMBL25970271

CC1(C)CN(c2ccn3ncc(C(O)O)c3n2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 16/20 0.45
PRKDC P78527 1/20 0.43
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ACACB O00763 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL21997238 0.82 PRKDC (0.45) SMPD3PRKDCIRAK4
SCHEMBL26765837 0.82 PRKDC (0.45) SMPD3PRKDCIRAK4
SCHEMBL25971398 0.77 SMPD3 (0.46) SMPD3
SCHEMBL21997182 0.76 IRAK4 (0.41) SMPD3PRKDCIRAK4
SCHEMBL26765506 0.70 IRAK4 (0.44) SMPD3IRAK4
SCHEMBL26765718 0.70 IRAK4 (0.44) SMPD3IRAK4
SCHEMBL25339027 0.68 SMPD3 (0.44) SMPD3IRAK4
SCHEMBL25338794 0.68 SMPD3 (0.44) SMPD3IRAK4
SCHEMBL21998253 0.67 PRKDC (0.42) PRKDCPIK3CAACACB
SCHEMBL21996887 0.67 IRAK4 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed