SCHEMBL1779225

SCHEMBL1779225

COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.52
LCK P06239 2/20 0.48
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
CDK7 P50613 2/20 0.48
LRRK2 Q5S007 2/20 0.48
AURKB Q96GD4 2/20 0.48
JAK2 O60674 1/20 0.48
BTK Q06187 1/20 0.48
RIPK1 Q13546 5/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
SYK P43405 1/20 0.48
PDE4B Q07343 3/20 0.45
PDE4D Q08499 2/20 0.45
AURKA O14965 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL1777665 0.91 IGF1R (0.53) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL12606272 0.87 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1780095 0.87 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1779372 0.87 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL12606257 0.86 IGF1R (0.58) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1777094 0.86 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1779996 0.86 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1778977 0.86 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1778068 0.86 IGF1R (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1778013 0.86 MAPT (0.53) IGF1RSYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed