SCHEMBL14014602

SCHEMBL14014602

O=C(O)c1cnn2c(C3CCCCC3)c(-c3cccc(OCc4ccc(OC(F)(F)F)c(Cl)c4)c3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
S1PR1 P21453 2/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
FFAR1 O14842 1/20 0.38
DHODH Q02127 3/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
PLAT P00750 1/20 0.36

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
SCHEMBL14014601 0.89 CYP2C9 (0.43) S1PR1CYP2C9ADRA1AHRH1S1PR5
SCHEMBL14014545 0.85 NR4A2 (0.48) S1PR1FFAR1S1PR5PLAT
SCHEMBL14014584 0.84 PLAT (0.36) ALOX5APPDCD1CD274S1PR1PLAT
SCHEMBL14014608 0.83 DHODH (0.44) DHODHPLAT
SCHEMBL14014543 0.82 ALKBH1 (0.46) FFAR1PLAT
SCHEMBL14014598 0.81 HSD17B10 (0.41) S1PR1PLAT
SCHEMBL14014609 0.77 HSD17B10 (0.44) DHODHPLAT
SCHEMBL14014958 0.76 S1PR5 (0.43) FFAR1S1PR5
SCHEMBL14014941 0.76 GCGR (0.45) GCGRGIPR
SCHEMBL14014662 0.76 SCN1A (0.36) ALOX5APPDCD1CD274PTGDR2S1PR1

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