SCHEMBL14014254

SCHEMBL14014254

COc1cccc(-c2cc(-c3ccccc3)nc3cc(C(=O)O)nn23)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.73
ALDH1A1 P00352 9/20 0.73
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
HPGD P15428 6/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 3/20 0.56
TP53 P04637 3/20 0.54
MAPK1 P28482 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 3/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL14014220 0.95 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014274 0.93 KDM4E (0.70) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014191 0.92 KDM4E (0.62) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014200 0.92 KDM4E (0.62) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014273 0.90 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014246 0.90 KDM4E (0.59) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014249 0.89 KDM4E (0.79) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014357 0.88 ALDH1A1 (0.59) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014358 0.87 ALDH1A1 (0.58) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL14014356 0.87 MAPT (0.56) KDM4EALDH1A1MAPTLMNAHPGD

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