SCHEMBL13723726

SCHEMBL13723726

CCCn1c(=O)cc[nH]c1=S.Cn1c(=O)cc[nH]c1=S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
PLK1 P53350 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PDE4A P27815 2/20 0.34
ADORA2A P29274 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ADORA2B P29275 1/20 0.34
HPGD P15428 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27672161 0.93 KDM1A (0.39) KDM1APLK1APOBEC3GALDH1A1PDE4A
SCHEMBL41241 0.93 KDM1A (0.39) KDM1APLK1APOBEC3GALDH1A1PDE4A
Phosphine SCHEMBL27662410 0.92 KDM1A (0.38) KDM1APLK1APOBEC3GALDH1A1PDE4A
Thiourea SCHEMBL29139740 0.86 KDM1A (0.35) KDM1APLK1APOBEC3GALDH1A1PDE4A
SCHEMBL297038 0.84
SCHEMBL10616922 0.83 MAPT (0.43) PLK1APOBEC3GALDH1A1ADORA2ATDP1
SCHEMBL11581587 0.82 HTT (0.44) PLK1APOBEC3GALDH1A1ADORA2ATDP1
Glycine SCHEMBL2322797 0.82 PDE4A (0.35) KDM1APLK1APOBEC3GALDH1A1PDE4A
Thiouracil SCHEMBL28203909 0.82 TP53 (0.54) KDM1APLK1APOBEC3GALDH1A1PDE4A
Imidazole SCHEMBL27283840 0.81 TDP1 (0.39) PLK1APOBEC3GALDH1A1PDE4AADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed