SCHEMBL29699239

SCHEMBL29699239

CC(CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.45
FPR2 P25090 6/20 0.37
ACVR1 Q04771 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32

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
SCHEMBL2372661 1.00 CFTR (0.45) CFTRFPR2ACVR1MMP1MMP3
SCHEMBL2373130 0.73 CFTR (0.40) CFTR
SCHEMBL2372492 0.72 CFTR (0.41) CFTRACVR1
SCHEMBL14784270 0.72 CFTR (0.42) CFTR
SCHEMBL2372296 0.71 GAA (0.48) CFTR
SCHEMBL22791161 0.69 CFTR (0.43) CFTRACVR1
SCHEMBL2371638 0.69 HDAC2 (0.50) CFTR
SCHEMBL2372314 0.69 KMT2A (0.50) CFTR
SCHEMBL2372384 0.69 HPGDS (0.40) CFTR
SCHEMBL11989202 0.69 CFTR (0.42) CFTRACVR1

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