SCHEMBL5832489

SCHEMBL5832489

COCCOc1cc2c(NC(=S)Nc3c(C)cccc3C)ncnc2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.62
FGFR1 P11362 2/20 0.62
EGFR P00533 6/20 0.57
FBP1 P09467 1/20 0.56
KDR P35968 11/20 0.56
RET P07949 3/20 0.55
KIF5B P33176 2/20 0.55
GAK O14976 2/20 0.54
FLT4 P35916 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
PLK4 O00444 1/20 0.49
CIT O14578 1/20 0.49
AURKA O14965 1/20 0.49
EPHB6 O15197 1/20 0.49
SLC22A1 O15245 1/20 0.49
DAPK3 O43293 1/20 0.49
RIPK2 O43353 1/20 0.49
BUB1 O43683 1/20 0.49

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
SCHEMBL5828725 1.00 FLT1 (0.62) FLT1FGFR1EGFRFBP1KDR
SCHEMBL4689960 0.97 FLT1 (0.59) FLT1FGFR1EGFRFBP1KDR
SCHEMBL4689400 0.97 FLT1 (0.59) FLT1FGFR1EGFRFBP1KDR
SCHEMBL4689455 0.87 EGFR (0.58) FLT1FGFR1EGFRKDRRET
SCHEMBL4689828 0.86 RET (0.60) FLT1FGFR1EGFRKDRRET
SCHEMBL4690929 0.85 EGFR (0.60) FLT1FGFR1EGFRKDRRET
SCHEMBL4689353 0.85 KDR (0.55) FLT1FGFR1EGFRKDRRET
SCHEMBL4693023 0.84 RET (0.61) FLT1FGFR1EGFRKDRRET
SCHEMBL4689817 0.83 SRC (0.64) EGFRKDRRETKIF5BALDH1A1
SCHEMBL4690799 0.83 SRC (0.64) EGFRKDRRETKIF5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed