SCHEMBL24329592

SCHEMBL24329592

CC(=O)Nc1nc2ccc(C)cc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
PIK3CA P42336 1/20 0.51
NOD1 Q9Y239 1/20 0.50
DYRK1A Q13627 2/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL130860 0.88 KDM4E (0.57) MEN1KMT2AHTTPIK3CANOD1
SCHEMBL14247557 0.83 NPC1 (0.50) MEN1KMT2AHTTPIK3CANOD1
SCHEMBL9556044 0.82 MEN1 (0.47) MEN1KMT2AHTTNOD1DYRK1A
SCHEMBL1704422 0.80 KDM4E (0.46) MEN1KMT2AHTTMAPTNPC1
SCHEMBL2175321 0.79 RAB9A (0.69) MEN1KMT2AHTTNOD1POLB
SCHEMBL23638514 0.75 NPC1 (0.57) KMT2APOLBMAPTTP53NPC1
SCHEMBL2625546 0.74 MCHR1 (0.43) MEN1KMT2AHTTMAPTNPC1
SCHEMBL15000607 0.74 NPC1 (0.57) MEN1KMT2APOLBMAPTTP53
SCHEMBL25171869 0.74 DYRK1A (0.50) MEN1KMT2AHTTPIK3CADYRK1A
SCHEMBL31220083 0.74 DYRK1A (0.50) MEN1KMT2AHTTPIK3CADYRK1A

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-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed