SCHEMBL13985102

SCHEMBL13985102

Cc1nc(Nc2cccc(C(=O)NO)c2)sc1-c1c(C)nc2ccccn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 4/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
NR2F2 P24468 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
KLF5 Q13887 1/20 0.52
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL13985101 0.89 PRKD3 (0.53) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13984937 0.85 PKM (0.47) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13985098 0.85 GAA (0.51) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3644534 0.85 MAPT (0.74) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL12847465 0.84 HDAC1 (0.45) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13984896 0.81 CDK2 (0.43) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL12790537 0.81 KMT2A (0.51) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL700587 0.78 CDK2 (0.69) PRKD3CDK2FLT3GSK3AGSK3B
SCHEMBL12789774 0.78 MAPT (0.76) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL700138 0.77 CDK2 (0.48) MAPTKDM4EALDH1A1GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed