SCHEMBL30037270

SCHEMBL30037270

COc1ncccc1-c1cn(C(c2cn(-c3ccccc3F)nn2)C2CC2)c2ncnc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.43
RET P07949 5/20 0.36
SRC P12931 4/20 0.35
EIF2AK3 Q9NZJ5 2/20 0.35
KDR P35968 5/20 0.35
LCK P06239 1/20 0.34
TEK Q02763 1/20 0.34
EGFR P00533 1/20 0.34
RIPK2 O43353 1/20 0.34

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
SCHEMBL20162736 1.00 CFTR (0.43) CFTRRETSRCEIF2AK3KDR
SCHEMBL20162599 0.90 CFTR (0.55) CFTRRETSRCEIF2AK3KDR
SCHEMBL30038252 0.90 CFTR (0.55) CFTRRETSRCEIF2AK3KDR
SCHEMBL30038234 0.90 CFTR (0.55) CFTRRETSRCEIF2AK3KDR
SCHEMBL20162597 0.90 CFTR (0.55) CFTRRETSRCEIF2AK3KDR
SCHEMBL20162851 0.89 CFTR (0.45) CFTRRETSRCEIF2AK3KDR
SCHEMBL30538123 0.89 CFTR (0.45) CFTRRETSRCEIF2AK3KDR
SCHEMBL30037060 0.86 CFTR (0.46) CFTRRETSRCEIF2AK3KDR
SCHEMBL20162970 0.86 CFTR (0.46) CFTRRETSRCEIF2AK3KDR
SCHEMBL20162753 0.84 CFTR (0.52) CFTRRETSRCEIF2AK3KDR

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