SCHEMBL20182247

SCHEMBL20182247

C#CCn1cc(C)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.44
FLT3 P36888 4/20 0.42
PIK3CD O00329 2/20 0.40
PRKDC P78527 2/20 0.40
DYRK1A Q13627 3/20 0.38
MAP4K4 O95819 2/20 0.38
PRKACA P17612 2/20 0.38
CSNK1A1 P48729 2/20 0.38
CLK2 P49760 2/20 0.38
MAP4K2 Q12851 2/20 0.38
ROCK1 Q13464 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
LRRK2 Q5S007 2/20 0.38
ABL1 P00519 2/20 0.38
KDR P35968 2/20 0.38
LCK P06239 2/20 0.38
DAPK3 O43293 1/20 0.38
PAK4 O96013 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL20181888 0.82 ADK (0.44) ADKFLT3SRCKDM4E
SCHEMBL20162903 0.82 FLT3 (0.56) ADKFLT3PIK3CDPRKDCDYRK1A
SCHEMBL20182182 0.79 DYRK1A (0.32) DYRK1AADORA2AADORA1
SCHEMBL24072614 0.78 SRC (0.54) ADKFLT3PIK3CDPRKDCDYRK1A
SCHEMBL14643108 0.77 ADK (0.42) ADKFLT3DYRK1AMAP4K4PRKACA
SCHEMBL26831072 0.77 RPS6KB1 (0.47) ADKFLT3PIK3CDPRKDCDYRK1A
SCHEMBL24072107 0.75 RET (0.54) ADKFLT3DYRK1AMAP4K4PRKACA
SCHEMBL23885181 0.75 ADK (0.43) ADKFLT3DYRK1AMAP4K4PRKACA
SCHEMBL14643788 0.75 SRC (0.47) ADKFLT3PIK3CDPRKDCDYRK1A
SCHEMBL19264025 0.75 ACACB (0.44) ADKPIK3CDPRKDCABL1LCK

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