SCHEMBL19449402

SCHEMBL19449402

Cc1cc(-c2ccc(F)cc2)nc2c(C(N)=O)ncn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
PARP1 P09874 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RAD51 Q06609 1/20 0.39
SCN9A Q15858 5/20 0.39
MEN1 O00255 1/20 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
SCHEMBL19437906 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19449434 0.87 HPGDS (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL19438151 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19449437 0.83 MAPT (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19449408 0.82 CSNK1E (0.38) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19449388 0.81 HSD17B10 (0.40) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19681732 0.81 MKNK1 (0.44) ALDH1A1KDM4EHSD17B10MAPK1APOBEC3A
SCHEMBL19449288 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19449643 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL19449634 0.79 MEN1 (0.38) ALDH1A1KDM4EHPGDHSD17B10NPC1

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-2017176961-A1 IMIDAZO [1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 WO disclosed