SCHEMBL14014662

SCHEMBL14014662

FC(F)(F)Oc1ccc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX5AP P20292 2/20 0.34
PLAT P00750 1/20 0.34
S1PR1 P21453 1/20 0.34
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
GCGR P47871 4/20 0.32
GIPR P48546 3/20 0.32
GRM2 Q14416 1/20 0.31
CTSL P07711 1/20 0.31
JAK1 P23458 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30

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
SCHEMBL14014584 0.92 PLAT (0.36) ALOX5APPLATS1PR1PDCD1CD274
SCHEMBL14014668 0.89 S1PR1 (0.36) S1PR1
SCHEMBL14014669 0.88 S1PR1 (0.35) SCN9APTGDR2ALOX5APS1PR1GRM2
SCHEMBL14014616 0.88 JAK1 (0.40) ALOX5APPLATGCGRGRM2JAK1
SCHEMBL14014628 0.84 PDE2A (0.33) ALOX5APS1PR1GRM2
SCHEMBL4710343 0.84 CYP3A4 (0.39) ALOX5APS1PR1
SCHEMBL14014686 0.84 ALOX5AP (0.33) ALOX5APGRM2
SCHEMBL14014665 0.82 ALOX5AP (0.33) ALOX5APPLATGABBR2GABBR1
SCHEMBL14014587 0.82 PLAT (0.41) ALOX5APPLATJAK1
SCHEMBL14014643 0.82 GABBR2 (0.39) SCN9ASCN10APLATGCGRGIPR

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