SCHEMBL6964645

SCHEMBL6964645

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.42
RET P07949 7/20 0.41
PDGFRB P09619 1/20 0.41
NEK2 P51955 2/20 0.41
CDK2 P24941 4/20 0.41
CCNE1 P24864 3/20 0.41
CCNE2 O96020 1/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
ALK Q9UM73 2/20 0.40
TLK2 Q86UE8 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL6965064 1.00 PDPK1 (0.42) PDPK1RETPDGFRBNEK2CDK2
SCHEMBL6968911 0.85 NEK2 (0.48) PDPK1RETPDGFRBNEK2CDK2
SCHEMBL6968905 0.85 NEK2 (0.48) PDPK1RETPDGFRBNEK2CDK2
SCHEMBL6965082 0.80 CCNE1 (0.67) PDPK1CDK2CCNE1CCNE2TLK2
SCHEMBL6965075 0.80 CCNE1 (0.67) PDPK1CDK2CCNE1CCNE2TLK2
SCHEMBL6964379 0.79 RET (0.62) PDPK1RETPDGFRBCDK2KDR
SCHEMBL6959102 0.79 RET (0.62) PDPK1RETPDGFRBCDK2KDR
SCHEMBL6967455 0.78 PDPK1 (0.69) PDPK1RETPDGFRBKDRFLT3
SCHEMBL6970563 0.78 PDPK1 (0.69) PDPK1RETPDGFRBKDRFLT3
SCHEMBL28401948 0.73 ALDH1A1 (0.47) ALDH1A1

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