SCHEMBL19455652

SCHEMBL19455652

Cc1cc(-c2cccc(F)c2)nc2c(C(N)=O)cnn12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
HSD17B10 Q99714 7/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 6/20 0.56
MAPK1 P28482 3/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TLR8 Q9NR97 2/20 0.47
HPGDS O60760 1/20 0.46
TYK2 P29597 1/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
CSNK1D P48730 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL19436682 0.91 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19455475 0.87 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19455790 0.86 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19436740 0.84 KDM4E (0.78) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL29929932 0.84 KDM4E (0.78) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19455276 0.84 HSD17B10 (0.61) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19455204 0.83 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19455786 0.83 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19436760 0.82 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19455536 0.82 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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-2017176960-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 WO disclosed