SCHEMBL2372346

SCHEMBL2372346

CCOc1nc(C(=O)OC)c(-n2c(C)ccc2C)cc1C(F)(F)F.COC(=O)c1nc(O)c(C(F)(F)F)cc1-n1c(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.42
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK1 P06493 1/20 0.35
MYC P01106 2/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RBP4 P02753 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL2372871 0.95 CFTR (0.45) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17103826 0.91 CFTR (0.42) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2371652 0.89 CFTR (0.39) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2383885 0.89 MYC (0.43) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14786282 0.84 MYC (0.40) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2372906 0.84 CFTR (0.44) CFTRKDM4EHSD17B10MYCRBP4
SCHEMBL2381481 0.84 CFTR (0.42) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2372480 0.80 CFTR (0.40) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2372372 0.78 MYC (0.43) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2372633 0.77 CFTR (0.45) CFTRKDM4EALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP disclosed
EP-2547656-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF Novartis AG (CH) 2013-01-23 EP disclosed
WO-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed