SCHEMBL14014246

SCHEMBL14014246

COc1cccc(-c2cc(-c3cccc(Cl)c3)nc3cc(C(=O)O)nn23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 2/20 0.50
HPGD P15428 5/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FYN P06241 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
MCTS1 Q9ULC4 1/20 0.45

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
SCHEMBL14014357 0.94 ALDH1A1 (0.59) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014260 0.92 KDM4E (0.62) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014191 0.92 KDM4E (0.62) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014254 0.90 KDM4E (0.73) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014244 0.90 KDM4E (0.71) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014355 0.89 KDM4E (0.54) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014274 0.88 KDM4E (0.70) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014208 0.88 KDM4E (0.52) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014356 0.88 MAPT (0.56) KDM4EALDH1A1MAPTLMNATP53
SCHEMBL14014319 0.87 TP53 (0.57) 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