SCHEMBL30892147

SCHEMBL30892147

CC(c1cn(-c2ccccc2F)nn1)n1cc(-c2cccc(C(F)(F)F)c2)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 12/20 0.51
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
SRC P12931 4/20 0.40
LCK P06239 2/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 1/20 0.39
RET P07949 2/20 0.39
NTRK1 P04629 1/20 0.39
CYP1A2 P05177 1/20 0.39
YES1 P07947 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
KIT P10721 1/20 0.39
CYP2C9 P11712 1/20 0.39
EIF2AK2 P19525 1/20 0.39

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
SCHEMBL27208127 0.89 SRC (0.51) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162689 0.87 CFTR (0.64) CFTRSRCLCKKDRTEK
SCHEMBL30037538 0.87 CFTR (0.64) CFTRSRCLCKKDRTEK
SCHEMBL20162724 0.85 CFTR (0.45) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30037442 0.85 CFTR (0.45) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162663 0.84 KDR (0.48) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30538071 0.84 KDR (0.48) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30036834 0.84 KDR (0.48) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20168334 0.84 KDR (0.48) CFTRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162660 0.84 KDR (0.48) CFTRPIK3CDPIK3CAPIK3CBPIK3CG

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