SCHEMBL5070002

SCHEMBL5070002

CC(O)Oc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.61
SYK P43405 1/20 0.58
GSK3B P49841 5/20 0.54
CDK7 P50613 5/20 0.54
AURKB Q96GD4 5/20 0.54
LRRK2 Q5S007 4/20 0.54
LCK P06239 4/20 0.54
GSK3A P49840 4/20 0.54
JAK2 O60674 4/20 0.54
BTK Q06187 1/20 0.54
RET P07949 6/20 0.48
AURKA O14965 4/20 0.48
ABL1 P00519 4/20 0.48
FLT3 P36888 4/20 0.48
CDK5 Q00535 4/20 0.48
PRKAA1 Q13131 4/20 0.48
CLK4 Q9HAZ1 3/20 0.48
PAK4 O96013 3/20 0.48
NTRK1 P04629 3/20 0.48
FYN P06241 3/20 0.48

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
SCHEMBL5067895 0.92 IGF1R (0.64) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1779860 0.89 SYK (0.60) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL12605859 0.89 IGF1R (0.58) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1779221 0.89 IGF1R (0.58) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1777705 0.88 IGF1R (0.59) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL12605817 0.88 IGF1R (0.59) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1780543 0.86 IGF1R (0.60) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1777168 0.86 IGF1R (0.74) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1778517 0.84 SYK (0.59) IGF1RSYKGSK3BCDK7AURKB
SCHEMBL1778685 0.84 SYK (0.59) IGF1RSYKGSK3BCDK7AURKB

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
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed