SCHEMBL30037147

SCHEMBL30037147

COc1ncc(-c2cn([C@@H](C)c3cc(-c4ccccc4F)no3)c3ncnc(N)c23)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.46
KDR P35968 8/20 0.45
TEK Q02763 7/20 0.45
LCK P06239 4/20 0.45
SRC P12931 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CFTR P13569 1/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL20162645 1.00 RET (0.46) RETKDRTEKLCKSRC
SCHEMBL20162640 1.00 RET (0.46) RETKDRTEKLCKSRC
SCHEMBL20162614 0.86 RET (0.45) RETKDRTEKLCKSRC
SCHEMBL31099162 0.86 RET (0.45) RETKDRTEKLCKSRC
SCHEMBL20162651 0.86 KDR (0.46) RETKDRTEKLCKSRC
SCHEMBL30037546 0.86 KDR (0.46) RETKDRTEKLCKSRC
SCHEMBL30538106 0.86 KDR (0.46) RETKDRTEKLCKSRC
SCHEMBL20162649 0.86 KDR (0.46) RETKDRTEKLCKSRC
SCHEMBL20173328 0.84 KDR (0.45) RETKDRTEKLCKSRC
SCHEMBL20173325 0.84 KDR (0.46) RETKDRTEKLCKSRC

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 3 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 claimed
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