SCHEMBL30705252

SCHEMBL30705252

COc1ccc2c(c1)c(-c1ncnc(Cl)n1)cn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.49
LCK P06239 2/20 0.49
IGF1R P08069 2/20 0.49
GSK3A P49840 2/20 0.49
CDK7 P50613 2/20 0.49
LRRK2 Q5S007 2/20 0.49
AURKB Q96GD4 2/20 0.49
JAK2 O60674 1/20 0.49
BTK Q06187 1/20 0.49
AURKA O14965 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL22509188 1.00 GSK3B (0.49) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL30705248 0.84 GSK3B (0.44) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL22509195 0.84 GSK3B (0.44) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL22509160 0.83 GSK3B (0.46) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL30705246 0.83 GSK3B (0.46) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL24240371 0.83 GSK3B (0.34) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL30337219 0.82 MKNK1 (0.53) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL28987649 0.82 MKNK1 (0.53) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL22509235 0.80 GSK3B (0.44) GSK3BIGF1RCDK5KDM4EALDH1A1
SCHEMBL30705255 0.80 GSK3B (0.44) GSK3BIGF1RCDK5KDM4EALDH1A1

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
CN-111747950-B Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2024-01-23 CN disclosed