SCHEMBL14014302

SCHEMBL14014302

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.71
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 1/20 0.56
TP53 P04637 3/20 0.52
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
MARS1 P56192 1/20 0.47
PPP1CA P62136 2/20 0.47
THRB P10828 2/20 0.46
APOBEC3A P31941 1/20 0.46
HTT P42858 1/20 0.46
KMO O15229 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14014278 0.89 ALDH1A1 (0.64) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014288 0.88 MAPT (0.61) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014289 0.88 MAPT (0.61) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014303 0.88 ALDH1A1 (0.59) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014305 0.88 TTR (0.65) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014369 0.88 TTR (0.65) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014276 0.87 ALDH1A1 (0.62) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL25337825 0.86 KDM4E (0.79) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014283 0.85 KDM4E (0.77) TTRKDM4EALDH1A1HSD17B10TP53
SCHEMBL14014280 0.84 TTR (0.56) TTRKDM4EALDH1A1HSD17B10TP53

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