SCHEMBL14014355

SCHEMBL14014355

COc1cc(F)cc(-c2cc(-c3cccc(Cl)c3)nc3cc(C(=O)O)nn23)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 7/20 0.54
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 3/20 0.47
HPGD P15428 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 2/20 0.44
TTR P02766 1/20 0.43
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14014358 0.92 ALDH1A1 (0.58) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014246 0.89 KDM4E (0.59) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014260 0.87 KDM4E (0.62) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014357 0.87 ALDH1A1 (0.59) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014242 0.86 KDM4E (0.62) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014353 0.84 KDM4E (0.68) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014244 0.84 KDM4E (0.71) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014243 0.82 KDM4E (0.78) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014304 0.82 KDM4E (0.56) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014198 0.82 KDM4E (0.66) KDM4EALDH1A1MAPTLMNATP53

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