SCHEMBL6530873

SCHEMBL6530873

COc1ccc(Sc2nc(Nc3cccc(F)c3)nc(N[C@@H](CC(C)C)C(=O)NCc3ccco3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MAPK1 P28482 3/20 0.41
BLM P54132 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CTSK P43235 2/20 0.41
EGFR P00533 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6532662 0.89 CTSK (0.42) MAPTHPGDCTSKALDH1A1
SCHEMBL6513225 0.89 HPGD (0.42) MAPTMAPK1HPGDTDP1CTSK
SCHEMBL6531457 0.88 ATM (0.45) HPGDCTSKALDH1A1
SCHEMBL6529549 0.86 KMT2A (0.42) MAPTMAPK1HPGDCTSKALDH1A1
SCHEMBL6528931 0.85 KCNH3 (0.41) MAPTCTSKALDH1A1MEN1KMT2A
SCHEMBL6508189 0.85 KCNH3 (0.41) MAPTMAPK1CTSKALDH1A1MEN1
SCHEMBL6528847 0.85 SYK (0.43) CTSKALDH1A1MEN1KMT2A
SCHEMBL6508192 0.85 KCNH3 (0.41) MAPTMAPK1CTSKALDH1A1MEN1
SCHEMBL6530634 0.85 CTSK (0.45) HPGDCTSKALDH1A1SMN1; SMN2
SCHEMBL6528746 0.84 CTSK (0.44) CTSKMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO claimed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 WO disclosed