SCHEMBL14014278

SCHEMBL14014278

O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(Cl)cc3)n2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
TTR P02766 1/20 0.58
HSD17B10 Q99714 2/20 0.58
MARS1 P56192 1/20 0.54
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
THRB P10828 2/20 0.48
APOBEC3A P31941 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RPA1 P27694 1/20 0.46
LDHA P00338 1/20 0.46
GAA P10253 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
SCHEMBL14014303 0.92 ALDH1A1 (0.59) ALDH1A1KDM4ETTRHSD17B10MARS1
SCHEMBL25337825 0.91 KDM4E (0.79) ALDH1A1KDM4ETTRHSD17B10TP53
SCHEMBL14014189 0.91 KDM4E (0.77) ALDH1A1KDM4ETTRHSD17B10TP53
SCHEMBL14014283 0.90 KDM4E (0.77) ALDH1A1KDM4ETTRHSD17B10TP53
SCHEMBL14014276 0.89 ALDH1A1 (0.62) ALDH1A1KDM4ETTRHSD17B10MARS1
SCHEMBL14014302 0.89 TTR (0.71) ALDH1A1KDM4ETTRHSD17B10MARS1
SCHEMBL14541761 0.89 TP53 (0.49) ALDH1A1KDM4ETTRHSD17B10MARS1
SCHEMBL14014280 0.88 TTR (0.56) ALDH1A1KDM4ETTRHSD17B10MARS1
SCHEMBL14014104 0.87 KDM4E (0.68) ALDH1A1KDM4ETTRHSD17B10MARS1
SCHEMBL14014187 0.87 KDM4E (0.68) ALDH1A1KDM4ETTRHSD17B10MARS1

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
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
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