SCHEMBL31099166

SCHEMBL31099166

CCC(c1cn(-c2ccc(F)c(F)c2)nn1)n1cc(-c2cnc(C(F)F)nc2)c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.49
SRC P12931 3/20 0.40
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
KDR P35968 2/20 0.34
TEK Q02763 2/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ABL2 P42684 1/20 0.34
LCK P06239 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
SCHEMBL20162786 1.00 CFTR (0.49) CFTRSRCPIK3CDPIK3CAPIK3CB
SCHEMBL30538111 0.89 CFTR (0.62) CFTRSRC
SCHEMBL20162756 0.89 CFTR (0.62) CFTRSRC
SCHEMBL30037497 0.89 CFTR (0.62) CFTRSRC
SCHEMBL20162754 0.89 CFTR (0.62) CFTRSRC
SCHEMBL20162750 0.87 CFTR (0.47) CFTRSRCPIK3CDPIK3CAPIK3CB
SCHEMBL20162752 0.87 CFTR (0.47) CFTRSRCPIK3CDPIK3CAPIK3CB
SCHEMBL30538084 0.87 CFTR (0.47) CFTRSRCPIK3CDPIK3CAPIK3CB
SCHEMBL30036843 0.87 CFTR (0.47) CFTRSRCPIK3CDPIK3CAPIK3CB
SCHEMBL30538110 0.87 CFTR (0.49) CFTRSRCPIK3CDPIK3CAPIK3CB

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 1 patent. 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