SCHEMBL7903448

SCHEMBL7903448

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

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.57
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
SCHEMBL2898595 0.93 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL7901176 0.92 ELANE (0.52) ELANECYP2C9CYP3A4
SCHEMBL233309 0.92 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL232616 0.91 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL3797251 0.91 ELANE (0.59) ELANECYP2C9CYP3A4
SCHEMBL2878932 0.90 ELANE (0.55) ELANECYP2C9CYP3A4
SCHEMBL230755 0.90 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL230833 0.90 ELANE (0.59) ELANECYP2C9CYP3A4
SCHEMBL2742358 0.90 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL230892 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed