SCHEMBL14014286

SCHEMBL14014286

COc1cc(-c2cc(-c3ccc(Oc4ccccc4)cc3)nc3cc(C(=O)O)nn23)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 6/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 2/20 0.51
CASP1 P29466 2/20 0.51
TSHR P16473 1/20 0.51
MCL1 Q07820 2/20 0.50
TTR P02766 1/20 0.46
KMO O15229 1/20 0.46
HSD17B10 Q99714 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL14014301 0.92 TP53 (0.58) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014284 0.89 TP53 (0.58) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014300 0.89 KDM4E (0.63) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014348 0.88 TP53 (0.54) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014221 0.87 KDM4E (0.70) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014220 0.86 KDM4E (0.65) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014230 0.85 KDM4E (0.78) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014287 0.85 TP53 (0.57) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL14014229 0.85 KDM4E (0.58) TP53KDM4EALDH1A1MAPTLMNA
SCHEMBL6211856 0.85 KDM4E (0.70) TP53KDM4EALDH1A1MAPTLMNA

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