SCHEMBL3400288

SCHEMBL3400288

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccc(-c3ccncc3)nc2Cl)SC[C@H]1OC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.32
MAP2K3 P46734 1/20 0.32
CIT O14578 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
DAPK1 P53355 1/20 0.30
MAP2K1 Q02750 1/20 0.30
PKN2 Q16513 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
TLK2 Q86UE8 1/20 0.30
HIPK4 Q8NE63 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MYLK2 Q9H1R3 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
BMP2K Q9NSY1 1/20 0.30
STK39 Q9UEW8 1/20 0.30
TLK1 Q9UKI8 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL315009 1.00 CASP1 (0.32) CASP1MAP2K3CITDAPK3JAK2
SCHEMBL315052 0.90
SCHEMBL3398537 0.90
SCHEMBL314785 0.89 NPC1 (0.36) MKNK1MKNK2MAPT
SCHEMBL3395672 0.89 NPC1 (0.36) MKNK1MKNK2MAPT
SCHEMBL316307 0.89 MAP2K3 (0.32) MAP2K3DYRK1A
SCHEMBL3399091 0.89 MAP2K3 (0.32) MAP2K3DYRK1A
SCHEMBL313987 0.87 AAK1 (0.35) CITDAPK3JAK2DAPK1MAP2K1
SCHEMBL313988 0.87 AAK1 (0.35) CITDAPK3JAK2DAPK1MAP2K1
SCHEMBL314261 0.85 NTMT1 (0.32)

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
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed