SCHEMBL14014235

SCHEMBL14014235

O=C(O)c1cc2nc(-c3ccc(F)cc3)cc(-c3ccc(OCc4ccccc4)cc3)n2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.63
ALDH1A1 P00352 7/20 0.63
MCL1 Q07820 5/20 0.57
MDM2 Q00987 2/20 0.57
BCL2 P10415 1/20 0.50
HSD17B10 Q99714 2/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 5/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 2/20 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
SCHEMBL14014349 0.94 KDM4E (0.72) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014326 0.93 KDM4E (0.70) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014351 0.91 KDM4E (0.59) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014298 0.91 MCL1 (0.66) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014226 0.90 ALDH1A1 (0.63) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014339 0.90 ALDH1A1 (0.63) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014350 0.90 KDM4E (0.63) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014293 0.89 KDM4E (0.59) KDM4EALDH1A1MCL1MDM2BCL2
SCHEMBL14014233 0.86 KDM4E (0.70) KDM4EALDH1A1MCL1HSD17B10MAPT
SCHEMBL14014196 0.86 KDM4E (0.85) KDM4EALDH1A1HSD17B10MAPTMEN1

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