SCHEMBL14014276

SCHEMBL14014276

O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(Cl)c3)n2n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 6/20 0.62
HSD17B10 Q99714 3/20 0.59
TTR P02766 1/20 0.54
TP53 P04637 3/20 0.53
THRB P10828 2/20 0.52
MARS1 P56192 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
APOBEC3A P31941 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL14541764 0.93 KDM4E (0.61) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014303 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014278 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL25337825 0.89 KDM4E (0.79) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014188 0.89 KDM4E (0.70) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014250 0.89 KDM4E (0.78) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014198 0.88 KDM4E (0.66) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014283 0.88 KDM4E (0.77) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014244 0.88 KDM4E (0.71) ALDH1A1KDM4EHSD17B10TTRTP53
SCHEMBL14014302 0.87 TTR (0.71) ALDH1A1KDM4EHSD17B10TTRTP53

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