SCHEMBL29699252

SCHEMBL29699252

COC(=O)c1nc(Br)c(C(F)(F)F)cc1N

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 17/20 0.70
NOTUM Q6P988 2/20 0.46

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
SCHEMBL2373012 1.00 CFTR (0.70) CFTRNOTUM
SCHEMBL22775073 0.95 CFTR (0.64) CFTRNOTUM
SCHEMBL14783370 0.89 CFTR (0.57) CFTRNOTUM
SCHEMBL24241489 0.85 CFTR (0.54) CFTRNOTUM
SCHEMBL30396668 0.85 CFTR (0.54) CFTRNOTUM
SCHEMBL23616410 0.85 CFTR (0.61) CFTR
SCHEMBL18652620 0.84 CFTR (0.58) CFTR
SCHEMBL4767342 0.84 CFTR (0.58) CFTR
SCHEMBL23671475 0.82 CFTR (0.59) CFTR
SCHEMBL14783593 0.82 CFTR (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974058-A Preparation method and crystalline form of (6A, 12A) -17-amino-12-methyl-6, 15-bis (trifluoromethyl) -13, 19-dioxa-3,4,18-triazatricyclo [12.3.1.12,5] nonadeca-1 (18), 2,4,14,16-pentaen-6-ol 弗特克斯药品有限公司 2024-11-15 CN disclosed
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed
EP-3980121-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS Novartis AG (CH) 2022-04-13 EP disclosed