SCHEMBL5873832

SCHEMBL5873832

O=C1Nc2ncc(-c3ccsc3)cc2C1=CNc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.35
MAP3K11 Q16584 2/20 0.34
CHEK1 O14757 3/20 0.33
JAK3 P52333 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
AXL P30530 1/20 0.32
MAPK1 P28482 1/20 0.31
MET P08581 1/20 0.31
EPHX2 P34913 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL5873818 1.00 CHEK2 (0.35) CHEK2MAP3K11CHEK1JAK3IKBKE
SCHEMBL5873838 0.87 PTK2 (0.35) CHEK2MAP3K11JAK3AXLMET
SCHEMBL5873840 0.87 PTK2 (0.35) CHEK2MAP3K11JAK3AXLMET
SCHEMBL5873793 0.87 JAK3 (0.39) MAP3K11CHEK1JAK3IKBKETBK1
SCHEMBL5873796 0.87 JAK3 (0.39) MAP3K11CHEK1JAK3IKBKETBK1
SCHEMBL5873979 0.84 CDK8 (0.37) CHEK2MAP3K11CHEK1JAK3AXL
SCHEMBL5873978 0.84 CDK8 (0.37) CHEK2MAP3K11CHEK1JAK3AXL
SCHEMBL7704861 0.83 MAP3K11 (0.40) CHEK2MAP3K11CHEK1JAK3IKBKE
SCHEMBL5873953 0.82 NTRK1 (0.41)
SCHEMBL5873956 0.82 NTRK1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-6818632-B2 3-(anilinomethylene)oxindoles SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO disclosed