SCHEMBL7828461

SCHEMBL7828461

COc1ccc(-c2cccc3c2/C(=C/c2ccc[nH]2)C(=O)N3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 5/20 0.63
PDPK1 O15530 4/20 0.63
FLT3 P36888 7/20 0.62
KDR P35968 5/20 0.61
AURKB Q96GD4 4/20 0.56
PDGFRB P09619 3/20 0.56
CHEK1 O14757 3/20 0.56
RET P07949 2/20 0.56
JAK3 P52333 2/20 0.56
SYK P43405 1/20 0.56
ATM Q13315 1/20 0.56
AURKA O14965 1/20 0.56
DAPK3 O43293 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
NTRK1 P04629 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
CSF1R P07333 1/20 0.56
IGF1R P08069 1/20 0.56

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
SCHEMBL7828465 1.00 TLK2 (0.63) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7827890 0.87 PDPK1 (0.69) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7827888 0.87 PDPK1 (0.69) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7819646 0.86 PDPK1 (0.68) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7819649 0.86 PDPK1 (0.68) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7827772 0.85 KDR (0.62) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7830669 0.85 PDPK1 (0.69) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7830665 0.85 PDPK1 (0.69) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7827773 0.85 KDR (0.62) TLK2PDPK1FLT3KDRAURKB
SCHEMBL7827840 0.83 PDPK1 (0.62) TLK2PDPK1FLT3KDRAURKB

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

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