SCHEMBL30926348

SCHEMBL30926348

CC(C)(C)OC(=O)N1CCCC(c2nsc(N)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGDS O60760 1/20 0.42
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
HPGD P15428 2/20 0.41
GLS O94925 2/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.39
USP30 Q70CQ3 2/20 0.39

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
SCHEMBL23148885 0.90 KDM4E (0.40) HPGDALOX5APFEN1KDM4EUSP30
SCHEMBL30926528 0.88 KDM4E (0.46) MAPTHPGDKDM4ERECQL
SCHEMBL30926222 0.87 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AHPGDS
SCHEMBL663645 0.81 DPP4 (0.45) ALDH1A1MEN1MAPTKMT2AHPGDS
SCHEMBL23705673 0.79 TRPV3 (0.46) ALDH1A1MEN1MAPTKMT2AHPGDS
SCHEMBL22122771 0.78 HPGDS (0.46) ALDH1A1MEN1MAPTKMT2AHPGDS
SCHEMBL7464833 0.77 GPR119 (0.54) ALDH1A1MEN1MAPTKMT2AHPGDS
SCHEMBL13678714 0.76 HDAC4 (0.46) ALDH1A1MEN1MAPTKMT2AHPGDS
SCHEMBL23149096 0.76 KDM4E (0.41) MAPTHPGDKDM4EUSP30FPR2
SCHEMBL4226907 0.75 HSD11B1 (0.48) ALDH1A1MEN1MAPTKMT2AHPGDS

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-4626423-A1 CDK INHIBITORS AND METHODS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-10-08 EP disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed