SCHEMBL14014306

SCHEMBL14014306

COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3cc(C(=O)O)nn23)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
CASP1 P29466 2/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 3/20 0.51
HPGD P15428 4/20 0.48
CASP7 P55210 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TTR P02766 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL14014289 0.89 MAPT (0.61) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014271 0.88 MAPT (0.56) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014288 0.87 MAPT (0.61) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014275 0.86 ALDH1A1 (0.62) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014279 0.84 MAPT (0.59) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014304 0.83 KDM4E (0.56) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL25337825 0.82 KDM4E (0.79) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014283 0.81 KDM4E (0.77) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014302 0.81 TTR (0.71) MAPTCASP1TSHRMAPK1KDM4E
SCHEMBL14014278 0.80 ALDH1A1 (0.64) 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 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