SCHEMBL6513016

SCHEMBL6513016

COc1ccc(Sc2cc(Nc3cccc(F)c3)nc(N[C@@H](CC(C)C)C(=O)NCCc3ccccn3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.43
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CTSS P25774 6/20 0.37
CTSL P07711 5/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MME P08473 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL6510135 0.87 CTSK (0.44) CTSKCTSSCTSL
SCHEMBL6510161 0.87 CTSK (0.44) CTSKCTSSCTSLLMNATP53
SCHEMBL6513831 0.86 CTSK (0.44) CTSKCTSSCTSL
SCHEMBL6506223 0.86 CTSK (0.42) CTSKGAACTSSCTSLKMT2A
SCHEMBL6527852 0.85 CTSK (0.40) CTSKMAPTCTSSCTSLSMN1; SMN2
SCHEMBL6512117 0.84 CTSK (0.38) CTSKMAPTLMNATP53SMN1; SMN2
SCHEMBL6512168 0.84 CTSK (0.40) CTSKMAPTLMNATP53SMN1; SMN2
SCHEMBL6512174 0.84 CTSK (0.40) CTSKMAPTLMNATP53SMN1; SMN2
SCHEMBL6512111 0.84 CTSK (0.38) CTSKMAPTLMNATP53SMN1; SMN2
SCHEMBL6509302 0.83 PDPK1 (0.41) CTSKGAAKMT2AHTTSMN1; SMN2

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