SCHEMBL30892153

SCHEMBL30892153

CC(c1cnc(-c2ccccc2F)[nH]1)n1cc(I)c2c(Cl)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.33
KDR P35968 3/20 0.33
ADK P55263 1/20 0.32
SRC P12931 1/20 0.31
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
MAPK14 Q16539 2/20 0.31
CXCR2 P25025 1/20 0.30

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
SCHEMBL20162979 1.00 RET (0.33) RETKDRADKSRCMAPK13
SCHEMBL20181875 0.89 RET (0.34) RETKDRADKSRCMAPK13
SCHEMBL20162795 0.88 KDR (0.42) RETKDRSRC
SCHEMBL30036859 0.88 KDR (0.42) RETKDRSRC
SCHEMBL20182216 0.79 KDR (0.40) RETKDRSRC
SCHEMBL20173304 0.78 KDR (0.40) RETKDRSRC
SCHEMBL20162957 0.77 RET (0.35) RETKDRADKSRC
SCHEMBL30538080 0.77 RET (0.35) RETKDRADKSRC
SCHEMBL20162739 0.76 CXCR2 (0.35) ADKSRCMAPK13MAPK12MAPK11
SCHEMBL30037624 0.76 CXCR2 (0.35) ADKSRCMAPK13MAPK12MAPK11

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-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed