SCHEMBL27208331

SCHEMBL27208331

Nc1ncnc2c1c(-c1c[nH]c3nccc-3c1)cn2Cc1cn(-c2ccccc2F)nn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.39
NOTUM Q6P988 1/20 0.38
RET P07949 1/20 0.38
SRC P12931 6/20 0.37
LCK P06239 2/20 0.37
PTGS2 P35354 1/20 0.36
RIPK2 O43353 1/20 0.35
TEK Q02763 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ABL2 P42684 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
IGF1R P08069 1/20 0.34
EIF2AK3 Q9NZJ5 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
SCHEMBL20173317 0.81 ATR (0.44) CFTRNOTUMRETSRCLCK
SCHEMBL21187310 0.81 CFTR (0.46) CFTRNOTUMRETSRCLCK
SCHEMBL20173316 0.80 PIK3CD (0.45) CFTRNOTUMSRCLCKRIPK2
SCHEMBL23481428 0.80 EIF2AK3 (0.41) CFTRNOTUMRETSRCLCK
SCHEMBL20162759 0.79 DOT1L (0.42) CFTRNOTUMRETSRCLCK
SCHEMBL20173321 0.79 SRC (0.52) NOTUMSRCLCKRIPK2TEK
SCHEMBL20181897 0.78 SRC (0.42) CFTRNOTUMSRCLCKRIPK2
SCHEMBL30037245 0.78 CFTR (0.41) CFTRNOTUMRETSRCLCK
SCHEMBL20162676 0.78 CFTR (0.41) CFTRNOTUMRETSRCLCK
SCHEMBL21187270 0.77 EIF2AK3 (0.44) CFTRRETSRCLCKTEK

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
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed