SCHEMBL5828675

SCHEMBL5828675

COc1cc2c(NC(=S)Nc3c(C)cccc3C)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 5/20 0.53
EPHB4 P54760 2/20 0.50
ERBB2 P04626 1/20 0.50
KDR P35968 5/20 0.49
EGFR P00533 12/20 0.48
RET P07949 1/20 0.47
KIF5B P33176 1/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL4427825 0.87 EGFR (0.62) EPHA2EPHB4ERBB2KDREGFR
SCHEMBL4689353 0.87 KDR (0.55) EPHA2EPHB4ERBB2KDREGFR
SCHEMBL4692095 0.83 EGFR (0.52) KDREGFRRETKIF5BFGFR1
SCHEMBL4690872 0.83 EGFR (0.58) EPHA2EPHB4ERBB2KDREGFR
SCHEMBL4693103 0.82 EGFR (0.58) EPHA2EPHB4KDREGFRRET
SCHEMBL4686372 0.82 EGFR (0.64) KDREGFRRETKIF5BFGFR1
SCHEMBL5496194 0.81 KDR (0.67) KDREGFRRETKIF5BFGFR1
SCHEMBL4687812 0.80 EGFR (0.46) EPHA2EPHB4ERBB2KDREGFR
SCHEMBL4690909 0.80 EGFR (0.46) EPHA2EPHB4ERBB2KDREGFR
SCHEMBL3131165 0.79 EGFR (0.75) EPHA2EPHB4ERBB2KDREGFR

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 3 patents. 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
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed