SCHEMBL5263776

SCHEMBL5263776

COc1ccc(-c2c(-c3cc(OC)c(Cl)cc3Cl)nc3nc(C)ccn23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.41
HSP90AB1 P08238 5/20 0.41
PTGS2 P35354 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
DPP4 P27487 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK10 P53779 1/20 0.36
KMO O15229 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5263328 0.85 SYK (0.42) ADORA2AADORA1AKT1AKT2ALOX15
SCHEMBL5262139 0.83 KDM4E (0.44) PTGS2ADORA2AADORA1AKT1AKT2
SCHEMBL5261621 0.83 AKT1 (0.41) PTGS2ADORA2AADORA1AKT1AKT2
SCHEMBL5265348 0.83 AKT1 (0.38) PTGS2ADORA2AADORA1AKT1AKT2
SCHEMBL5262639 0.80 AKT1 (0.36) PTGS2ADORA2AADORA1AKT1AKT2
SCHEMBL5261629 0.75 ALDH1A1 (0.46) PTGS2AKT1AKT2DPP4MAPK14
SCHEMBL5263893 0.74 ALDH1A1 (0.40) PTGS2MEN1KMT2AALDH1A1
SCHEMBL5803806 0.73 AKT1 (0.41) AKT1AKT2DPP4MAPK14NPC1
SCHEMBL5260224 0.72 AKT1 (0.41) AKT1AKT2DPP4MAPK14NPC1
SCHEMBL5260566 0.72 MAPK14 (0.35) PTGS2AKT1AKT2DPP4MAPK14

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-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed