SCHEMBL26242520

SCHEMBL26242520

Cc1nnc(-c2cnn(C)c2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
AXL P30530 8/20 0.38
ADORA2A P29274 1/20 0.35
BRD4 O60885 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
PLAU P00749 1/20 0.35
EPHX2 P34913 1/20 0.34
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL16561353 0.73 PIM1 (0.38) PIM1AXLADORA2ABRD4LRRK2
SCHEMBL14983673 0.73 SIGMAR1 (0.44) PIM1AXLLRRK2SIGMAR1
SCHEMBL17816457 0.73 PIM1 (0.41) PIM1AXLADORA2ALRRK2AURKA
SCHEMBL24713133 0.70 LRRK2 (0.44) PIM1AXLBRD4LRRK2AURKA
SCHEMBL16701022 0.70 PIM1 (0.42) PIM1AXLADORA2ALRRK2KDR
SCHEMBL17816262 0.68 KDM5B (0.38) PIM1AXLLRRK2KDREPHB4
SCHEMBL16701134 0.68 AXL (0.42) PIM1AXLADORA2ABRD4DYRK1A
SCHEMBL22344901 0.67 PIM1 (0.37) PIM1AXLPLAUEPHX2MAPK1
SCHEMBL12668067 0.67 KDM4E (0.41) BRD4MAPK1
SCHEMBL16320327 0.67 SIGMAR1 (0.42) PIM1AXLBRD4LRRK2SIGMAR1

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