SCHEMBL24676849

SCHEMBL24676849

Cc1nc(C2CN(C(=O)OC(C)(C)C)C2)sc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 2/20 0.37
USP30 Q70CQ3 1/20 0.37
FPR2 P25090 2/20 0.37
GLS O94925 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
RORC P51449 2/20 0.36
PIK3CA P42336 1/20 0.36
HPGD P15428 1/20 0.35
STS P08842 1/20 0.35
SSTR4 P31391 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
SCHEMBL24676959 0.84 DDB1 (0.37) NR1H2KDM4EUSP30FPR2MAPT
SCHEMBL29001993 0.76 USP30 (0.43) NR1H2KDM4EUSP30FPR2HPGD
SCHEMBL16717787 0.76 GPR119 (0.40) NR1H2KDM4EUSP30FPR2MAPT
SCHEMBL9947823 0.75 HSD11B1 (0.44) NR1H2KDM4EUSP30MAPTTHRB
SCHEMBL25483611 0.73 KDM1A (0.40)
SCHEMBL9947911 0.73 GPR119 (0.51) MAPT
SCHEMBL21858824 0.73 GLS (0.43) KDM4EUSP30FPR2GLSMAPT
SCHEMBL23149096 0.73 KDM4E (0.41) NR1H2KDM4EUSP30FPR2MAPT
SCHEMBL26132929 0.73 GPR119 (0.44) NR1H2KDM4EUSP30GLSHPGD
SCHEMBL23306607 0.73 KDM4E (0.49) KDM4EMAPTTHRBHPGDSTS

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-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed