SCHEMBL14014111

SCHEMBL14014111

COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
ALDH1A1 P00352 10/20 1.00
HSD17B10 Q99714 8/20 0.82
HPGD P15428 6/20 0.82
TSHR P16473 5/20 0.82
CASP1 P29466 4/20 0.82
L3MBTL1 Q9Y468 3/20 0.82
CASP7 P55210 3/20 0.78
MAPK1 P28482 3/20 0.73
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
POLB P06746 2/20 0.70
ESR1 P03372 1/20 0.70
GAA P10253 1/20 0.70
ESR2 Q92731 1/20 0.70
MAPT P10636 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
USP2 O75604 1/20 0.64
PKM P14618 1/20 0.64
THRB P10828 1/20 0.64

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
SCHEMBL13723869 0.89 ALDH1A1 (0.82) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3283135 0.88 KDM4E (0.84) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL13749385 0.88 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL15760566 0.87 KDM4E (0.78) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL14013782 0.87 ALDH1A1 (0.79) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4203990 0.83 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4088135 0.82 HSD17B10 (0.78) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL9301152 0.82 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1008095 0.81 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4204293 0.80 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR

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