SCHEMBL14014333

SCHEMBL14014333

COc1ccccc1-c1cc(-c2cccc(Cl)c2)n2nc(C(=O)O)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 2/20 0.57
TP53 P04637 3/20 0.53
MAPT P10636 6/20 0.52
HPGD P15428 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.51
THRB P10828 1/20 0.47
FYN P06241 3/20 0.46
MARS1 P56192 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 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
SCHEMBL14014245 0.92 KDM4E (0.57) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014334 0.90 KDM4E (0.59) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014324 0.89 KDM4E (0.66) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014340 0.87 KDM4E (0.53) KDM4EALDH1A1TP53HPGDCYP2C9
SCHEMBL14014328 0.86 KDM4E (0.62) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014241 0.85 KDM4E (0.52) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014319 0.85 TP53 (0.57) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014287 0.85 TP53 (0.57) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014250 0.85 KDM4E (0.78) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL14014251 0.84 KDM4E (0.69) KDM4EALDH1A1TP53MAPTHPGD

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