SCHEMBL6599489

SCHEMBL6599489

Cc1cccc2c1/C(=C/Nc1ccc(CCN3CCCCC3)cc1)C(=O)N2.O=C1Nc2cccc(F)c2/C1=C/Nc1ccc(CCN2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.39
PDGFRB P09619 4/20 0.38
RET P07949 3/20 0.38
ERBB2 P04626 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IGF1R P08069 1/20 0.36
KDR P35968 3/20 0.36
PDPK1 O15530 1/20 0.36
PAK1 Q13153 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
OPRM1 P35372 1/20 0.35
PLK1 P53350 1/20 0.35
EGFR P00533 2/20 0.34
PDGFRA P16234 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL6599490 1.00 FLT3 (0.39) FLT3PDGFRBRETERBB2ALDH1A1
SCHEMBL4997248 0.94 RET (0.41) FLT3PDGFRBRETERBB2ALDH1A1
SCHEMBL4997253 0.94 RET (0.41) FLT3PDGFRBRETERBB2ALDH1A1
SCHEMBL4990826 0.94 PAK1 (0.39) FLT3ALDH1A1CRHBPHTTCRHR2
SCHEMBL4990835 0.94 PAK1 (0.39) FLT3ALDH1A1CRHBPHTTCRHR2
SCHEMBL4994178 0.88 ALDH1A1 (0.42) FLT3ALDH1A1CRHBPHTTCRHR2
SCHEMBL4994729 0.88 HRH1 (0.45) FLT3PDGFRBRETERBB2ALDH1A1
SCHEMBL4994170 0.88 ALDH1A1 (0.42) FLT3ALDH1A1CRHBPHTTCRHR2
SCHEMBL4994734 0.88 HRH1 (0.45) FLT3PDGFRBRETERBB2ALDH1A1
SCHEMBL4988148 0.85 RET (0.51) FLT3PDGFRBRETERBB2ALDH1A1

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