SCHEMBL19688568

SCHEMBL19688568

Cn1c(C2=NC=CCN2c2ccc(C#N)cc2)c(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.41
CYP2C9 P11712 5/20 0.40
CYP3A4 P08684 3/20 0.40

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
SCHEMBL19639806 0.80 ELANE (0.43) ELANECYP2C9CYP3A4
SCHEMBL19639985 0.79 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL19639792 0.78 ELANE (0.46) ELANECYP2C9CYP3A4
SCHEMBL19684694 0.72 ELANE (0.56) ELANECYP2C9CYP3A4
SCHEMBL19639773 0.71 ELANE (0.53) ELANECYP2C9CYP3A4
SCHEMBL21796123 0.71 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL19639807 0.70 ELANE (0.48) ELANECYP2C9CYP3A4
SCHEMBL19640024 0.70 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL19639824 0.69 ELANE (0.44) ELANECYP2C9CYP3A4
SCHEMBL19640000 0.69 ELANE (0.56) ELANECYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017207433-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2018-03-01 WO disclosed
WO-2017207433-A1 HETETOCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed