SCHEMBL28987649

SCHEMBL28987649

COc1ccc2c(c1)c(-c1ccnc(Cl)n1)cn2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
GSK3B P49841 3/20 0.52
LCK P06239 2/20 0.52
IGF1R P08069 2/20 0.52
GSK3A P49840 2/20 0.52
CDK7 P50613 2/20 0.52
LRRK2 Q5S007 2/20 0.52
AURKB Q96GD4 2/20 0.52
JAK2 O60674 1/20 0.52
BTK Q06187 1/20 0.52
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

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
SCHEMBL30337219 1.00 MKNK1 (0.53) MKNK1MKNK2GSK3BLCKIGF1R
SCHEMBL17683243 0.90 MKNK2 (0.53) MKNK1MKNK2GSK3BLCKIGF1R
SCHEMBL30337437 0.84 DYRK1A (0.43) MKNK1MKNK2GSK3BMAP3K14MEN1
SCHEMBL28987624 0.84 DYRK1A (0.43) MKNK1MKNK2GSK3BMAP3K14MEN1
SCHEMBL28987589 0.83 DYRK1A (0.42) MKNK1MKNK2GSK3BLCKIGF1R
SCHEMBL17490446 0.83 GSK3B (0.54) MKNK1MKNK2GSK3BLCKIGF1R
SCHEMBL30337352 0.83 DYRK1A (0.42) MKNK1MKNK2GSK3BLCKIGF1R
SCHEMBL30337440 0.83 GSK3B (0.54) MKNK1MKNK2GSK3BLCKIGF1R
SCHEMBL22509188 0.82 GSK3B (0.49) GSK3BLCKIGF1RGSK3ACDK7
SCHEMBL30705252 0.82 GSK3B (0.49) GSK3BLCKIGF1RGSK3ACDK7

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-115974845-A Preparation method of oxitinib intermediate 奥锐特药业股份有限公司 2023-04-18 CN disclosed