SCHEMBL6959102

SCHEMBL6959102

Cc1nc[nH]c1/C=C1\C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.62
KDR P35968 6/20 0.53
PDGFRB P09619 6/20 0.53
FGFR1 P11362 3/20 0.53
CDK2 P24941 2/20 0.53
PLK4 O00444 2/20 0.51
RPS6KA3 P51812 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDPK1 O15530 2/20 0.50
MAP1LC3B Q9GZQ8 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
SRC P12931 1/20 0.46

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
SCHEMBL6964379 1.00 RET (0.62) RETKDRPDGFRBFGFR1CDK2
SCHEMBL6968911 0.82 NEK2 (0.48) RETKDRPDGFRBFGFR1CDK2
SCHEMBL6968905 0.82 NEK2 (0.48) RETKDRPDGFRBFGFR1CDK2
SCHEMBL6964645 0.79 PDPK1 (0.42) RETKDRPDGFRBFGFR1CDK2
SCHEMBL6965064 0.79 PDPK1 (0.42) RETKDRPDGFRBFGFR1CDK2
SCHEMBL13081086 0.77 RET (1.00) RETKDRPDGFRBFGFR1PLK4
SCHEMBL146013 0.75 AURKA (0.51) KDRPDGFRBFGFR1CDK2PDPK1
SCHEMBL29264977 0.74 NTRK1 (0.76)
SCHEMBL29264982 0.74 NTRK1 (0.76)
SCHEMBL30997326 0.74 NTRK1 (0.76)

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 10 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
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN 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