SCHEMBL14014121

SCHEMBL14014121

COC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.78
ALDH1A1 P00352 11/20 0.78
APOBEC3A P31941 1/20 0.78
HTT P42858 1/20 0.78
MAPT P10636 4/20 0.76
GAA P10253 4/20 0.76
MYC P01106 1/20 0.69
MAX P61244 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 7/20 0.69
GLA P06280 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
HSD17B10 Q99714 3/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.60
FUBP1 Q96AE4 2/20 0.58

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
SCHEMBL3277995 0.88 KDM4E (1.00) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL1718137 0.88 KDM4E (0.76) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL30382020 0.87 KDM4E (0.82) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL1718395 0.86 KDM4E (0.78) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL1718140 0.84 KDM4E (0.77) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL1718669 0.83 KDM4E (0.75) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL4197490 0.83 KDM4E (0.74) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL14725134 0.82 MYC (1.00) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL1719581 0.82 MAPT (0.72) KDM4EALDH1A1APOBEC3AHTTMAPT
SCHEMBL1718874 0.82 KDM4E (0.65) KDM4EALDH1A1APOBEC3AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed