SCHEMBL1746677

SCHEMBL1746677

CCOC(=O)OC1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(N)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.58
CYP2C9 P11712 6/20 0.55
CYP3A4 P08684 4/20 0.55

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
SCHEMBL230667 0.89 ELANE (0.70) ELANECYP2C9CYP3A4
SCHEMBL14632007 0.88 ELANE (0.55) ELANECYP2C9CYP3A4
SCHEMBL14632131 0.87 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL14632161 0.87 ELANE (0.59) ELANECYP2C9CYP3A4
SCHEMBL14632050 0.87 ELANE (0.59) ELANECYP2C9CYP3A4
SCHEMBL229626 0.83 ELANE (0.62) ELANECYP2C9CYP3A4
SCHEMBL14647591 0.83 ELANE (0.62) ELANECYP2C9CYP3A4
Hydrochloric Acid SCHEMBL229517 0.82 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL2742383 0.81 ELANE (0.72) ELANECYP2C9CYP3A4
SCHEMBL14632165 0.81 ELANE (0.64) ELANECYP2C9CYP3A4

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
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed
EP-2385945-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 EP disclosed
US-8041896-B2 Virtualization platform with dedicated cache access HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-10-18 US disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed