SCHEMBL14014305

SCHEMBL14014305

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.65
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 4/20 0.63
PPP1CA P62136 2/20 0.61
HPGD P15428 3/20 0.52
KMO O15229 2/20 0.51
HSD17B10 Q99714 2/20 0.50
TP53 P04637 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
MARS1 P56192 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14014369 0.91 TTR (0.65) TTRKDM4EALDH1A1PPP1CAHPGD
SCHEMBL14014100 0.89 KDM4E (0.77) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14014187 0.88 KDM4E (0.68) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14014104 0.88 KDM4E (0.68) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14014302 0.88 TTR (0.71) TTRKDM4EALDH1A1PPP1CAKMO
SCHEMBL14014198 0.86 KDM4E (0.66) TTRKDM4EALDH1A1PPP1CAHPGD
SCHEMBL14014196 0.85 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL14014197 0.85 KDM4E (0.70) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14014300 0.84 KDM4E (0.63) TTRKDM4EALDH1A1PPP1CAHPGD
SCHEMBL14014215 0.84 KDM4E (0.82) KDM4EALDH1A1HPGDHSD17B10TP53

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