SCHEMBL14014201

SCHEMBL14014201

COc1ccccc1-c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)nn12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 8/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
HPGD P15428 4/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 4/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
DHODH Q02127 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MDM2 Q00987 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
SCHEMBL14014251 0.93 KDM4E (0.69) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014190 0.91 KDM4E (0.59) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014279 0.90 MAPT (0.59) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014229 0.90 KDM4E (0.58) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014102 0.85 KDM4E (0.62) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL14014324 0.85 KDM4E (0.66) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014245 0.85 KDM4E (0.57) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014196 0.84 KDM4E (0.85) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014213 0.84 KDM4E (0.64) KDM4EALDH1A1MAPTMAPK1TSHR
SCHEMBL14014215 0.83 KDM4E (0.82) KDM4EALDH1A1MAPTMAPK1TSHR

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