SCHEMBL14015115

SCHEMBL14015115

O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
ALB P02768 1/20 0.36
IL2 P60568 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MME P08473 4/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
ITGA4 P13612 3/20 0.34
ITGB7 P26010 2/20 0.34
ITGB1 P05556 2/20 0.34
ECE1 P42892 1/20 0.34
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33

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
SCHEMBL14015126 0.89 ITGA4 (0.38) ALDH1A1CNR2CNR1KDM4EHPGD
SCHEMBL14015123 0.87 HPGD (0.37) ALDH1A1CNR2CNR1KDM4EHPGD
SCHEMBL4707958 0.87 KDM4E (0.38) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL14014038 0.87 KDM4E (0.38) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL14015118 0.85 ALB (0.41) CNR2CNR1ALBIL2MME
SCHEMBL14257687 0.80 HPGD (0.41) ALDH1A1CNR2KDM4EHPGDMAPT
SCHEMBL14014036 0.80 ADORA3 (0.41) ALDH1A1CNR2KDM4EHPGDMAPT
SCHEMBL4710027 0.80 ADORA3 (0.41) ALDH1A1CNR2KDM4EHPGDMAPT
SCHEMBL4708363 0.79 ALDH1A1 (0.37) ALDH1A1CNR2KDM4EHPGDMAPT
SCHEMBL4707644 0.77 ALDH1A1 (0.44) ALDH1A1CNR2KDM4EHPGDMAPT

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 6 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
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP 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