SCHEMBL30037263

SCHEMBL30037263

CC(c1cn(-c2ccccc2F)nn1)n1cc(C2COC2)c2c(Cl)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.38
NOTUM Q6P988 1/20 0.34
PTGS2 P35354 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
SCHEMBL20162700 1.00 CFTR (0.38) CFTRNOTUMPTGS2
SCHEMBL20162725 0.90 CFTR (0.46) CFTRNOTUM
SCHEMBL30037632 0.82 CFTR (0.40) CFTRNOTUMPTGS2
SCHEMBL20162783 0.82 CFTR (0.40) CFTRNOTUMPTGS2
SCHEMBL20162611 0.81 CFTR (0.46) CFTRNOTUM
SCHEMBL30538114 0.81 CFTR (0.46) CFTRNOTUM
SCHEMBL20162612 0.81 CFTR (0.46) CFTRNOTUM
SCHEMBL30038273 0.81 CFTR (0.46) CFTRNOTUM
SCHEMBL20162742 0.81 CFTR (0.39) CFTRNOTUMPTGS2
SCHEMBL20162622 0.80 CFTR (0.45) CFTRNOTUM

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
CN-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed
CN-110337294-B Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2022-11-01 CN disclosed