SCHEMBL5263097

SCHEMBL5263097

COc1ccc(-c2nc3nc(C)ccn3c2-c2cc(C)c(S(C)(=O)=O)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TEK Q02763 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK14 Q16539 1/20 0.35
PTGS2 P35354 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL5263386 0.87 ALDH1A1 (0.51) CYP1A2CYP2C9CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL5260646 0.83 AKT1 (0.39) SMN1; SMN2AKT1AKT2TP53POLB
SCHEMBL5262769 0.81 AKT1 (0.40) AKT1AKT2TP53POLBGAA
SCHEMBL5261110 0.81 AKT1 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2AKT1
SCHEMBL5263328 0.80 SYK (0.42) SMN1; SMN2AKT1AKT2KMT2ATP53
SCHEMBL5803806 0.79 AKT1 (0.41) SMN1; SMN2L3MBTL1AKT1AKT2TP53
SCHEMBL5264269 0.79 AKT1 (0.41) SMN1; SMN2AKT1AKT2TP53POLB
SCHEMBL5260224 0.79 AKT1 (0.41) SMN1; SMN2AKT1AKT2TP53POLB
SCHEMBL5789311 0.77 GAA (0.43) SMN1; SMN2L3MBTL1AKT1AKT2TP53
SCHEMBL5262520 0.77 AKT1 (0.47) SMN1; SMN2L3MBTL1AKT1AKT2TP53

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