SCHEMBL6964291

SCHEMBL6964291

O=C1Nc2ccc(C#Cc3cccc([N+](=O)[O-])c3)cc2/C1=C/c1ccc[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.74
JAK3 P52333 4/20 0.74
PDPK1 O15530 10/20 0.63
RET P07949 4/20 0.55
KDR P35968 4/20 0.55
FLT3 P36888 3/20 0.55
ALK Q9UM73 2/20 0.55
FLT1 P17948 2/20 0.55
PDGFRA P16234 1/20 0.55
TLK2 Q86UE8 7/20 0.52
SYK P43405 1/20 0.51
ATM Q13315 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51

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
SCHEMBL6964296 1.00 PDGFRB (0.74) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6957596 0.92 PDGFRB (0.78) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6957606 0.92 PDGFRB (0.78) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6000879 0.86 PDGFRB (1.00) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6000878 0.86 PDGFRB (1.00) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6970897 0.85 PDPK1 (0.74) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6970890 0.85 PDPK1 (0.74) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6970711 0.84 PDGFRB (0.62) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6970703 0.84 PDGFRB (0.62) PDGFRBJAK3PDPK1RETKDR
SCHEMBL6958904 0.83 PDPK1 (0.72) PDGFRBJAK3PDPK1RETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP claimed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US claimed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed