SCHEMBL20181875

SCHEMBL20181875

Cc1cn(C(C)c2cnc(-c3ccccc3F)[nH]2)c2ncnc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.34
KDR P35968 3/20 0.34
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SRC P12931 1/20 0.32
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 1/20 0.31
ADK P55263 1/20 0.31
PIK3CD O00329 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
SCHEMBL30892153 0.89 RET (0.33) RETKDRMAPK13MAPK12MAPK11
SCHEMBL20162979 0.89 RET (0.33) RETKDRMAPK13MAPK12MAPK11
SCHEMBL20182216 0.88 KDR (0.40) RETKDRSRCPIK3CD
SCHEMBL20173304 0.79 KDR (0.40) RETKDRSRCPIK3CD
SCHEMBL20162795 0.79 KDR (0.42) RETKDRSRCPIK3CD
SCHEMBL30036859 0.79 KDR (0.42) RETKDRSRCPIK3CD
SCHEMBL20162933 0.78 PIK3CD (0.43) RETKDRSRCPIK3CD
SCHEMBL30037531 0.78 PIK3CD (0.43) RETKDRSRCPIK3CD
SCHEMBL20181869 0.77 MEN1 (0.36) MAPK13MAPK12MAPK11MAPK14MGAM
SCHEMBL20175297 0.76 KDR (0.42) RETKDRSRCPIK3CD

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
WO-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed