SCHEMBL24922007

SCHEMBL24922007

COc1cnc(-c2nnco2)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.50
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL24921992 0.79 MAPT (0.42) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24921604 0.77 NOTUM (0.50) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24922483 0.74 NOTUM (0.39) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24922497 0.74 TSHR (0.40) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24920810 0.74 MAPT (0.39) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24921606 0.74 NOTUM (0.47) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL4581181 0.72 NOTUM (0.65) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL24920835 0.71 NOTUM (0.51) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL28394924 0.71 NOTUM (0.50) NOTUMTLR8TSHRKDM4E
SCHEMBL24921557 0.70 MAPT (0.53) NOTUMMAPTALDH1A1HPGDMAPK1

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed