SCHEMBL6957030

SCHEMBL6957030

Nc1ccc(C#Cc2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 11/20 0.76
RET P07949 4/20 0.76
FLT3 P36888 3/20 0.76
ALK Q9UM73 2/20 0.76
PDGFRB P09619 5/20 0.61
KDR P35968 4/20 0.61
FLT1 P17948 2/20 0.61
PDGFRA P16234 1/20 0.61
TLK2 Q86UE8 7/20 0.58
JAK3 P52333 4/20 0.58
CHEK1 O14757 2/20 0.57
SYK P43405 1/20 0.57
ATM Q13315 1/20 0.57
AURKA O14965 1/20 0.57
DAPK3 O43293 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
NTRK1 P04629 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57

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
SCHEMBL6957025 1.00 PDPK1 (0.76) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6970897 0.91 PDPK1 (0.74) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6970890 0.91 PDPK1 (0.74) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6963476 0.88 PDPK1 (0.76) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6963470 0.88 PDPK1 (0.76) PDPK1RETFLT3ALKPDGFRB
SCHEMBL18053 0.86 PDPK1 (1.00) PDPK1RETFLT3ALKPDGFRB
SCHEMBL18054 0.86 PDPK1 (1.00) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6955194 0.85 PDPK1 (0.77) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6966133 0.85 PDPK1 (0.77) PDPK1RETFLT3ALKPDGFRB
SCHEMBL6957596 0.84 PDGFRB (0.78) PDPK1RETFLT3ALKPDGFRB

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 8 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
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