SCHEMBL1777922

SCHEMBL1777922

COc1ccc2c(c1)c(-c1cc3c(C(=O)NC(C)(C)CO)ccnc3[nH]1)cn2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
IGF1R P08069 3/20 0.56
LCK P06239 2/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
CDK7 P50613 2/20 0.56
LRRK2 Q5S007 2/20 0.56
AURKB Q96GD4 2/20 0.56
JAK2 O60674 1/20 0.56
BTK Q06187 1/20 0.56
CDK9 P50750 2/20 0.48
AURKA O14965 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
PDGFRB P09619 1/20 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
SCHEMBL1778234 0.90 SYK (0.47) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL14427645 0.86 SYK (0.55) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL1778662 0.86 IGF1R (0.56) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL1776936 0.86 IGF1R (0.58) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL1777230 0.84 IGF1R (0.66) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL1777620 0.84 IGF1R (0.58) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL1777688 0.83 IGF1R (0.57) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL12606274 0.83 IGF1R (0.56) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL1780157 0.83 SYK (0.45) SYKIGF1RLCKGSK3AGSK3B
SCHEMBL12606258 0.82 IGF1R (0.58) SYKIGF1RLCKGSK3AGSK3B

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 3 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