SCHEMBL626460

SCHEMBL626460

CCOc1cncc(-c2cn3nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)sc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 4/20 0.43
PRMT5 O14744 1/20 0.42
FYN P06241 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM1A O60341 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL626459 0.85 FYN (0.59) FYNGPR119MMP13
SCHEMBL624985 0.83 KDM4E (0.40) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL624533 0.81 PIM1 (0.53) MAPTKDM4EPRMT5KDM1A
SCHEMBL624058 0.80 JAK2 (0.47) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL628029 0.80 F2RL3 (0.49) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL626983 0.79 CETP (0.44) MAPTHPGDKDM4EGAAALDH1A1
SCHEMBL627067 0.79 KDM4E (0.46) MAPTKDM4EPRMT5KDM1AGPR119
SCHEMBL1945185 0.79 FYN (0.58) MAPTFYNF2RL3
SCHEMBL624948 0.78 BRD4 (0.43) MAPTTP53
SCHEMBL624885 0.77 FYN (0.51) MAPTHPGDKDM4EALDH1A1NPSR1

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed