SCHEMBL31479523

SCHEMBL31479523

Cn1ncc2c(Br)cc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
AXL P30530 1/20 0.33
PDE2A O00408 1/20 0.33
GRM2 Q14416 1/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL21047086 1.00 MEN1 (0.41) MEN1KMT2AIDO1TDO2AXL
SCHEMBL15730130 0.81 PDE2A (0.39) MEN1KMT2APDE2AHPGDHSD17B10
SCHEMBL24104233 0.79 ADORA2A (0.35) MEN1KMT2APDE2AHPGDHSD17B10
SCHEMBL31453021 0.78 ESR1 (0.39) MEN1KMT2AIDO1TDO2PDE2A
SCHEMBL15209635 0.78 GAA (0.35) MEN1KMT2AIDO1TDO2GRM2
SCHEMBL24148121 0.78 ESR1 (0.39) MEN1KMT2AIDO1TDO2PDE2A
SCHEMBL30855850 0.78 GAA (0.35) MEN1KMT2AIDO1TDO2GRM2
SCHEMBL22660499 0.76 GRM2 (0.37) IDO1TDO2GRM2HTR2AHTR2C
SCHEMBL30483048 0.76 GRM2 (0.37) IDO1TDO2GRM2HTR2AHTR2C
SCHEMBL26200048 0.75 CCR4 (0.32) MEN1KMT2APDE2AHPGDHSD17B10

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed