SCHEMBL14014279

SCHEMBL14014279

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
CASP1 P29466 2/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP7 P55210 1/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TTR P02766 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL14014201 0.90 KDM4E (0.60) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014251 0.90 KDM4E (0.69) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014190 0.87 KDM4E (0.59) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014290 0.87 KDM4E (0.53) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014229 0.86 KDM4E (0.58) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014345 0.86 KDM4E (0.60) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014306 0.84 MAPT (0.62) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL25337825 0.84 KDM4E (0.79) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014275 0.84 ALDH1A1 (0.62) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014288 0.83 MAPT (0.61) MAPTCASP1TSHRMAPK1KDM4E

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 5 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
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO 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