SCHEMBL14014287

SCHEMBL14014287

COc1cc(-c2cc(-c3cccc(Cl)c3)nc3cc(C(=O)O)nn23)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 6/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
CASP1 P29466 1/20 0.54
HPGD P15428 4/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.50
TTR P02766 1/20 0.49
KMO O15229 1/20 0.49
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14014319 0.92 TP53 (0.57) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014284 0.90 TP53 (0.58) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014321 0.88 TTR (0.63) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014244 0.87 KDM4E (0.71) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014246 0.87 KDM4E (0.59) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014260 0.87 KDM4E (0.62) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014286 0.85 TP53 (0.58) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014333 0.85 KDM4E (0.57) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014245 0.85 KDM4E (0.57) TP53KDM4EALDH1A1MAPTMAPK1
SCHEMBL14014266 0.84 KDM4E (0.74) TP53KDM4EALDH1A1MAPTMAPK1

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