SCHEMBL18917208

SCHEMBL18917208

CC1=C(C(=O)O)C(c2ccc(C#N)cc2)n2nc(C(=O)NCCN(C)C)nc2N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.54
CYP2C9 P11712 5/20 0.49
CYP3A4 P08684 4/20 0.45

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
SCHEMBL12330002 0.92 ELANE (0.61) ELANECYP2C9CYP3A4
SCHEMBL233472 0.87 ELANE (0.63) ELANECYP2C9CYP3A4
SCHEMBL231909 0.83 ELANE (0.64) ELANECYP2C9CYP3A4
SCHEMBL12329665 0.81 ELANE (0.69) ELANECYP2C9CYP3A4
SCHEMBL231215 0.81 ELANE (0.60) ELANECYP2C9CYP3A4
SCHEMBL15456549 0.80 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL230716 0.80 ELANE (0.58) ELANECYP2C9CYP3A4
SCHEMBL2742382 0.79 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL15456106 0.78 ELANE (0.57) ELANECYP2C9CYP3A4
SCHEMBL12330070 0.78 ELANE (0.65) 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
EP-2545057-B1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARM SPA (IT) 2017-06-07 EP disclosed