SCHEMBL31599650

SCHEMBL31599650

CC(C)Cn1nnc2cnc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
POLB P06746 2/20 0.35
APAF1 O14727 1/20 0.35
TOP2A P11388 1/20 0.35
MGAM O43451 2/20 0.32
AMY1A P0DUB6 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
LMNA P02545 1/20 0.32
KMO O15229 1/20 0.32
ATM Q13315 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL20529673 0.75 TDO2 (0.41) GRM2KMOKDM4EALDH1A1SLC9A1
SCHEMBL30701769 0.75 TDO2 (0.41) GRM2KMOKDM4EALDH1A1SLC9A1
SCHEMBL24851152 0.73 HTR2A (0.51) KMOHTR2AHTR2C
SCHEMBL17604612 0.72 DGAT1 (0.31) NPC1RAB9A
SCHEMBL29342015 0.70 GRM2 (0.44) GRM2POLBAPAF1HTR2AHTR2C
SCHEMBL31599748 0.70 AURKA (0.30) HTR2AHTR2C
SCHEMBL7716431 0.68 APAF1 (0.67) GRM2POLBAPAF1LMNAALDH1A1
SCHEMBL30555641 0.67 HCAR3 (0.43) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL15742045 0.67 HCAR3 (0.43) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL29342227 0.67 MAPT (0.44) GRM2POLBAPAF1KDM4EALDH1A1

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-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 WO disclosed