SCHEMBL1744544

SCHEMBL1744544

[CH2]C(=O)Nc1nc2n(n1)[C@H](c1ccc(C#N)cc1)C(C#N)=C(C)N2c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.58
CYP2C9 P11712 4/20 0.58
CYP3A4 P08684 3/20 0.58

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
SCHEMBL3797251 0.94 ELANE (0.59) ELANECYP2C9CYP3A4
SCHEMBL230833 0.93 ELANE (0.59) ELANECYP2C9CYP3A4
SCHEMBL230755 0.91 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL2898595 0.91 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL231618 0.91 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL230967 0.91 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL232616 0.91 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL229417 0.91 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL2892226 0.91 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL232130 0.90 ELANE (0.55) 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