SCHEMBL17861102

SCHEMBL17861102

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)n(C(=O)NC2CCOCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.55
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL17819338 0.96 ELANE (0.54) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL17819331 0.96 ELANE (0.54) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL17819310 0.96 ELANE (0.54) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL17819351 0.96 ELANE (0.58) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL17819344 0.94 ELANE (0.57) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL17819348 0.94 ELANE (0.57) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL21859873 0.94 ELANE (0.56) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL19502788 0.93 ELANE (0.55) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL21835826 0.92 ELANE (0.54) ELANEMEN1KMT2ACYP2C9CYP3A4
SCHEMBL21860404 0.92 ELANE (0.54) ELANEMEN1KMT2APDE4BPDE4D

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-3233833-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
US-9409870-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-09 US disclosed
US-9409870-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-09 US disclosed
WO-2016096638-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-23 WO disclosed