SCHEMBL4557263

SCHEMBL4557263

Cc1c(-c2ccnn2-c2ccc(C#N)nc2)nc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.52
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2C9 P11712 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 2/20 0.41
NOTUM Q6P988 1/20 0.39
CTSK P43235 4/20 0.38
GSR P00390 3/20 0.36
CYP1A2 P05177 1/20 0.36
NT5E P21589 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL597053 0.92 ELANE (0.52) ELANEKMT2AMEN1ADRB1HTR1A
SCHEMBL597779 0.92 ELANE (0.59) ELANEKMT2AMEN1ADRB1HTR1A
SCHEMBL2695330 0.89 ELANE (0.65) ELANEKMT2AMEN1CYP2C9POLB
SCHEMBL596968 0.88 ELANE (0.51) ELANEKMT2AMEN1ADRB1HTR1A
SCHEMBL4452188 0.84 KMT2A (0.51) ELANEKMT2AMEN1POLBNOTUM
SCHEMBL12327865 0.84 KMT2A (0.51) ELANEKMT2AMEN1POLBNOTUM
Azd-6553 SCHEMBL3705053 0.82 ELANE (0.64) ELANEKMT2AMEN1CYP2C9CTSK
SCHEMBL1603348 0.80 ELANE (0.65) ELANEKMT2AMEN1CYP2C9CYP1A2
SCHEMBL525061 0.80 ELANE (0.74) ELANEKMT2AMEN1CYP2C9CTSK
SCHEMBL595622 0.80 ELANE (0.62) ELANEKMT2AMEN1CYP2C9CTSK

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
EP-2018377-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. Astra Zeneca AB (SE) 2009-01-28 EP disclosed
WO-2007129963-A1 2-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2007-11-15 WO disclosed