SCHEMBL29699348

SCHEMBL29699348

Nc1nc(C(F)(F)F)c(Br)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.38
PLAU P00749 3/20 0.38
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL2372260 1.00 CFTR (0.38) CFTRPLAUHSD17B10KDM4EALDH1A1
SCHEMBL14816567 0.86 PLAU (0.41) CFTRPLAU
SCHEMBL2371668 0.85 PLAU (0.36) CFTRPLAUHSD17B10KDM4EALDH1A1
SCHEMBL14784270 0.81 CFTR (0.42) CFTRPLAUKDM4EALDH1A1
SCHEMBL14783292 0.79 TDP1 (0.46) PLAUHSD17B10KDM4EALDH1A1HPGD
SCHEMBL2371732 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDHTT
SCHEMBL30206229 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDHTT
SCHEMBL14891402 0.77 PLAU (0.58) PLAUHSD17B10KDM4EALDH1A1HPGD
SCHEMBL17628560 0.77 PLAU (0.44) CFTRPLAUKDM4EALDH1A1TDP1
SCHEMBL14783203 0.75 CFTR (0.33) CFTR

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-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed