SCHEMBL6965050

SCHEMBL6965050

O=C1Nc2cccc(Br)c2C1=Cc1ccc[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 10/20 0.72
KDR P35968 5/20 0.72
RET P07949 5/20 0.62
PDGFRB P09619 5/20 0.62
TLK2 Q86UE8 5/20 0.62
FLT3 P36888 4/20 0.62
JAK3 P52333 3/20 0.62
FLT1 P17948 2/20 0.62
ALK Q9UM73 2/20 0.62
SYK P43405 1/20 0.62
ATM Q13315 1/20 0.62
CHEK1 O14757 1/20 0.62
AURKA O14965 1/20 0.62
DAPK3 O43293 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
NTRK1 P04629 1/20 0.62
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
CSF1R P07333 1/20 0.62

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
SCHEMBL6965045 1.00 PDPK1 (0.72) PDPK1KDRRETPDGFRBTLK2
SCHEMBL6967581 0.85 PDPK1 (0.72) PDPK1KDRRETPDGFRBTLK2
SCHEMBL6967576 0.85 PDPK1 (0.72) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5728470 0.84 PDPK1 (1.00) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5727775 0.84 PDPK1 (0.75) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5728638 0.84 PDPK1 (1.00) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5728634 0.84 PDPK1 (1.00) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5727772 0.84 PDPK1 (0.75) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5728466 0.84 PDPK1 (1.00) PDPK1KDRRETPDGFRBTLK2
SCHEMBL5727875 0.81 PDPK1 (0.70) PDPK1KDRRETPDGFRBTLK2

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 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
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed