SCHEMBL30574243

SCHEMBL30574243

Fc1ccc(-c2cnn(CC(F)(F)F)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
PIM1 P11309 8/20 0.42
PIM3 Q86V86 7/20 0.42
PIM2 Q9P1W9 7/20 0.42
HCRTR1 O43613 6/20 0.41
HCRTR2 O43614 6/20 0.41
LRRK2 Q5S007 1/20 0.41
GRM5 P41594 2/20 0.40
MET P08581 2/20 0.39

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
SCHEMBL15338817 0.79 NAMPT (0.52) HCRTR1HCRTR2GRM5
SCHEMBL9977750 0.79 FEN1 (0.50) HCRTR1HCRTR2GRM5
Hydrochloric Acid SCHEMBL15327063 0.78 FEN1 (0.49) HCRTR1HCRTR2GRM5
SCHEMBL15604646 0.75 HCRTR1 (0.52) HCRTR1HCRTR2GRM5
Hydrochloric Acid SCHEMBL16648614 0.74 HCRTR1 (0.51) HCRTR1HCRTR2GRM5
SCHEMBL9977865 0.74 HCRTR1 (0.53) HCRTR1HCRTR2GRM5
SCHEMBL15327052 0.74 HCRTR1 (0.42) HCRTR1HCRTR2GRM5
SCHEMBL25323896 0.72 CSNK1D (0.35) LRRK2GRM5
SCHEMBL16648654 0.72 HCRTR1 (0.46) HCRTR1HCRTR2GRM5
SCHEMBL16561338 0.72 MKNK1 (0.50) ALOX5APPIM1

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-2023177233-A1 NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 (주)아름테라퓨틱스 2023-09-21 WO disclosed