SCHEMBL14014257

SCHEMBL14014257

O=C(O)c1cc2nc(-c3ccccc3)cc(-c3ccc(Oc4ccccc4)cc3)n2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.81
ALDH1A1 P00352 8/20 0.81
MCL1 Q07820 3/20 0.60
MAPT P10636 6/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 4/20 0.58
LMNA P02545 5/20 0.56
HPGD P15428 8/20 0.56
HTT P42858 4/20 0.55
TP53 P04637 3/20 0.55
NPSR1 Q6W5P4 4/20 0.54
GAA P10253 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL14014216 1.00 KDM4E (0.81) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014231 0.99 KDM4E (0.79) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014230 0.99 KDM4E (0.78) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014219 0.93 KDM4E (0.70) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL6211856 0.93 KDM4E (0.70) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014233 0.93 KDM4E (0.70) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014221 0.93 KDM4E (0.70) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014217 0.90 KDM4E (0.65) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014218 0.90 KDM4E (0.65) KDM4EALDH1A1MCL1MAPTMAPK1
SCHEMBL14014281 0.90 KDM4E (0.65) KDM4EALDH1A1MCL1MAPTMAPK1

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