SCHEMBL14014339

SCHEMBL14014339

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 3/20 0.63
MCL1 Q07820 5/20 0.57
MDM2 Q00987 2/20 0.57
BCL2 P10415 1/20 0.52
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 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
SCHEMBL14014226 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014349 0.94 KDM4E (0.72) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014326 0.93 KDM4E (0.70) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014338 0.91 KDM4E (0.59) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014317 0.91 ALDH1A1 (0.59) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014225 0.91 KDM4E (0.59) ALDH1A1KDM4EMCL1MDM2PTGS1
SCHEMBL14014298 0.91 MCL1 (0.66) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014235 0.90 KDM4E (0.63) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014350 0.90 KDM4E (0.63) ALDH1A1KDM4EMCL1MDM2BCL2
SCHEMBL14014296 0.90 MARS1 (0.54) ALDH1A1KDM4EMCL1MDM2BCL2

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