SCHEMBL26242523

SCHEMBL26242523

Cc1nnc(-c2cn[nH]c2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKT2 P31751 2/20 0.39
AKT1 P31749 2/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
PMP22 Q01453 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MTOR P42345 2/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
GRM4 Q14833 2/20 0.34
GRM8 O00222 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL22296030 0.76 BLM (0.37) KCNH2GPR35LRRK2ROCK1
SCHEMBL21193333 0.71 KCNH2 (0.41) KCNH2KDM4EALDH1A1AKT2AKT1
SCHEMBL13160337 0.70 KDM4E (0.38) KCNH2KDM4EALDH1A1AKT2AKT1
SCHEMBL12668067 0.68 KDM4E (0.41) KDM4EALDH1A1LMNA
SCHEMBL3740850 0.68 AKT2 (0.70) KCNH2AKT2AKT1LMNAAPEX1
SCHEMBL19003127 0.68 KCNH2 (0.43) KCNH2KDM4EALDH1A1AKT2AKT1
SCHEMBL29518143 0.68 KCNH2 (0.43) KCNH2KDM4EALDH1A1AKT2AKT1
SCHEMBL15716268 0.68 MTOR (0.38) KCNH2KDM4EALDH1A1AKT2AKT1
SCHEMBL21193154 0.68 KDM4E (0.42) KCNH2KDM4EALDH1A1AKT2AKT1
SCHEMBL26242537 0.67 MAPT (0.43) KDM4EALDH1A1LMNA

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-2023150201-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2023-08-10 WO disclosed