SCHEMBL14014275

SCHEMBL14014275

COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cc(C(=O)O)nn23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
KDM4E B2RXH2 8/20 0.62
HSD17B10 Q99714 6/20 0.62
HPGD P15428 5/20 0.62
CASP1 P29466 4/20 0.62
CASP7 P55210 2/20 0.62
MAPT P10636 5/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.51

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
SCHEMBL14014304 0.89 KDM4E (0.56) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014281 0.88 KDM4E (0.65) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014213 0.88 KDM4E (0.64) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL25337825 0.88 KDM4E (0.79) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014249 0.88 KDM4E (0.79) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014283 0.87 KDM4E (0.77) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014306 0.86 MAPT (0.62) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014192 0.86 KDM4E (0.64) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL1718174 0.86 ALDH1A1 (0.83) ALDH1A1KDM4EHSD17B10HPGDCASP1
SCHEMBL14014278 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDCASP1

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