SCHEMBL1776508

SCHEMBL1776508

Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(=O)NCCC(N)=O)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.68
IGF1R P08069 2/20 0.52
RIPK1 Q13546 12/20 0.51
JAK2 O60674 1/20 0.40
LCK P06239 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40
BTK Q06187 1/20 0.40
LRRK2 Q5S007 1/20 0.40
AURKB Q96GD4 1/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
HDAC3 O15379 1/20 0.39
EGFR P00533 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL1777235 0.93 SYK (0.59) SYKIGF1RRIPK1CCNE1CDK2
SCHEMBL1776988 0.90 SYK (0.74) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1778650 0.86 SYK (0.70) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777627 0.85 SYK (0.75) SYKIGF1RRIPK1JAK2LCK
SCHEMBL13157584 0.85 SYK (0.72) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1777487 0.84 SYK (0.63) SYKIGF1RRIPK1
SCHEMBL1777522 0.83 SYK (0.70) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1778035 0.83 SYK (0.64) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1778784 0.83 SYK (0.71) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1779125 0.83 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