SCHEMBL6609433

SCHEMBL6609433

COc1cccc(N/C=C2/C(=O)Nc3ccc(Cl)cc32)c1.Cc1cccc2c1/C(=C\Nc1ccccc1)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.55
CDYL Q9Y232 1/20 0.55
CDY1; CDY1B Q9Y6F8 1/20 0.55
MDM2 Q00987 5/20 0.46
LRRK2 Q5S007 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TGM2 P21980 2/20 0.43
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
RET P07949 1/20 0.40
PDPK1 O15530 1/20 0.40
AKT2 P31751 1/20 0.40
TLK2 Q86UE8 1/20 0.40

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
SCHEMBL6609434 1.00 CDYL2 (0.55) CDYL2CDYLCDY1; CDY1BMDM2LRRK2
SCHEMBL4994071 0.89 CDYL2 (0.68) CDYL2CDYLCDY1; CDY1BMDM2LRRK2
SCHEMBL4994078 0.89 CDYL2 (0.68) CDYL2CDYLCDY1; CDY1BMDM2LRRK2
SCHEMBL4992385 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1HSD17B10TGM2RET
SCHEMBL4992393 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1HSD17B10TGM2RET
SCHEMBL11887935 0.80 ALDH1A1 (0.60) CDYL2CDYLCDY1; CDY1BMDM2ALDH1A1
SCHEMBL4990472 0.80 MDM2 (0.61) CDYL2CDYLCDY1; CDY1BMDM2LRRK2
SCHEMBL4994789 0.80 ALDH1A1 (0.60) CDYL2CDYLCDY1; CDY1BMDM2ALDH1A1
SCHEMBL4990478 0.80 MDM2 (0.61) CDYL2CDYLCDY1; CDY1BMDM2LRRK2
SCHEMBL4994792 0.80 ALDH1A1 (0.60) CDYL2CDYLCDY1; CDY1BMDM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed