SCHEMBL30892152

SCHEMBL30892152

CC(c1cn(-c2ccccc2F)nn1)n1cc(-c2ccc(OC3CC3)nc2)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 11/20 0.47
KDR P35968 6/20 0.40
TEK Q02763 5/20 0.40
LCK P06239 3/20 0.40
SRC P12931 3/20 0.40
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL30037196 1.00 CFTR (0.47) CFTRKDRTEKLCKSRC
SCHEMBL20162744 1.00 CFTR (0.47) CFTRKDRTEKLCKSRC
SCHEMBL20162743 1.00 CFTR (0.47) CFTRKDRTEKLCKSRC
SCHEMBL20162918 0.92 CFTR (0.46) CFTRKDRTEKLCKSRC
SCHEMBL30538092 0.90 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL30038236 0.90 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL20162623 0.90 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL20162625 0.90 KDR (0.48) CFTRKDRTEKLCKSRC
SCHEMBL30538094 0.84 CFTR (0.41) CFTRKDRTEKLCKSRC
SCHEMBL20163013 0.84 CFTR (0.41) CFTRKDRTEKLCKSRC

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