SCHEMBL1745956

SCHEMBL1745956

CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)n2nc(CC(C)CNC(=O)c3ccccc3O)nc2N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.51
CYP2C9 P11712 4/20 0.49
CYP3A4 P08684 3/20 0.49

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
SCHEMBL14632150 0.94 ELANE (0.49) ELANECYP2C9CYP3A4
SCHEMBL1744774 0.89 ELANE (0.50) ELANECYP2C9CYP3A4
SCHEMBL14632020 0.83 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL15456716 0.82 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL15456137 0.81 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL14632156 0.79 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL231395 0.79 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL230751 0.79 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL230760 0.79 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL15456718 0.78 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