SCHEMBL6528850

SCHEMBL6528850

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.42
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA7 P36544 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6508189 0.84 KCNH3 (0.41) MAPTTP53POLBMEN1KMT2A
SCHEMBL6528847 0.84 SYK (0.43) MEN1KMT2ACHRNA7
SCHEMBL6508192 0.84 KCNH3 (0.41) MAPTTP53POLBMEN1KMT2A
SCHEMBL6528931 0.84 KCNH3 (0.41) MAPTTP53POLBMEN1KMT2A
SCHEMBL6530404 0.82 IDH2 (0.43) MAPTTP53POLBMEN1KMT2A
SCHEMBL6527570 0.82 IDH2 (0.43) MAPTTP53POLBMEN1KMT2A
SCHEMBL6529551 0.81 CHRNA7 (0.35) MAPTTP53POLBMEN1KMT2A
SCHEMBL6532662 0.81 CTSK (0.42) MAPT
SCHEMBL6531461 0.81 EGFR (0.39) MAPTTP53POLBMEN1KMT2A
SCHEMBL6528181 0.81 TBK1 (0.35) MAPTTP53POLBMEN1KMT2A

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-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