SCHEMBL30892155

SCHEMBL30892155

C#CC(C1CC1)n1ccc2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL20182185 0.75 RET (0.41) DAPK3MAP4K4PAK4ABL1LCK
SCHEMBL20163009 0.75 MTOR (0.42) DAPK3MAP4K4PAK4ABL1LCK
SCHEMBL30892143 0.73 ADORA2A (0.40) ADKPIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL21127668 0.72 PI4KA (0.42) DAPK3MAP4K4ABL1LCKFYN
SCHEMBL30544134 0.71 ADORA2A (0.54) LCKRETKDRPIK3CDPI4KA
SCHEMBL6364016 0.71 ADORA2A (0.54) LCKRETKDRPIK3CDPI4KA
SCHEMBL21942686 0.69 ADORA2A (0.45) LCKRETKDRADKPIK3CD
SCHEMBL23469011 0.68 PIK3CD (0.45) RETKDRADKPIK3CDMEN1
SCHEMBL24971532 0.67 DHFR (0.46) ADKPIK3CDPI4KAPI4K2BPI4K2A
SCHEMBL21122549 0.66 METTL3 (0.39) RETLRRK2ADKPIK3CDMEN1

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