SCHEMBL1778154

SCHEMBL1778154

Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(=O)NC(CO)CO)ccc21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.73
IGF1R P08069 2/20 0.54
RIPK1 Q13546 15/20 0.49
SLC40A1 Q9NP59 1/20 0.42
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
ACSS2 Q9NR19 1/20 0.38

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
SCHEMBL1777225 0.93 SYK (0.63) SYKIGF1RRIPK1SLC40A1ACSS2
SCHEMBL1777522 0.86 SYK (0.70) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777627 0.86 SYK (0.75) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777291 0.86 SYK (0.86) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1776988 0.86 SYK (0.74) SYKIGF1RRIPK1JAK2LCK
SCHEMBL13157584 0.84 SYK (0.72) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777661 0.84 SYK (0.86) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777837 0.84 SYK (1.00) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1779125 0.84 SYK (0.71) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1778784 0.84 SYK (0.71) SYKIGF1RRIPK1JAK2LCK

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