SCHEMBL1778255

SCHEMBL1778255

COCCNC(=O)c1ccnc2[nH]c(-c3cc4cc(OC)ccc4n3C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
AURKA O14965 5/20 0.47
TEK Q02763 5/20 0.47
MET P08581 4/20 0.47
AURKB Q96GD4 4/20 0.43
LCK P06239 2/20 0.43
LYN P07948 1/20 0.43
FLT1 P17948 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL1778752 0.91 ALDH1A1 (0.46) KDRAURKATEKMETLCK
SCHEMBL1779027 0.88 L3MBTL1 (0.44) KDRAURKATEKMETAURKB
SCHEMBL1777905 0.86 KDM4E (0.48) AURKBLCKKDM4EHSD17B10LMNA
SCHEMBL1779368 0.86 L3MBTL1 (0.51) AURKBLCKKDM4EHSD17B10LMNA
SCHEMBL1780157 0.84 SYK (0.45) KDRAURKATEKMETAURKB
SCHEMBL1777620 0.82 IGF1R (0.58) KDRAURKATEKMETAURKB
SCHEMBL1779704 0.78 GSK3A (0.43) AURKAMETAURKBLCKKDM4E
SCHEMBL1777397 0.76 KDM4E (0.60) KDRAURKATEKMETKDM4E
SCHEMBL1779605 0.75 PIM1 (0.42) AURKAMETAURKBLCKKDM4E
SCHEMBL1776936 0.75 IGF1R (0.58) AURKAMETAURKBLCKLMNA

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
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed