SCHEMBL4688686

SCHEMBL4688686

COc1cc2c(NC(=S)Nc3c(C)cccc3C)ncnc2cc1OCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 17/20 0.67
KDR P35968 15/20 0.67
EPHB4 P54760 12/20 0.67
ERBB2 P04626 4/20 0.57
DRD4 P21917 2/20 0.53

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
SCHEMBL4689343 0.83 EPHA2 (0.47) EPHA2KDREPHB4ERBB2
SCHEMBL4693053 0.83 RET (0.62) EPHA2KDREPHB4ERBB2
SCHEMBL4693034 0.82 RET (0.59) EPHA2KDREPHB4ERBB2
SCHEMBL6984999 0.81 EPHA2 (0.59) EPHA2KDREPHB4ERBB2
SCHEMBL4689455 0.81 EGFR (0.58) KDR
SCHEMBL4689355 0.80 EPHA2 (0.69) EPHA2KDREPHB4ERBB2DRD4
SCHEMBL907245 0.80 EPHA2 (1.00) EPHA2KDREPHB4ERBB2
SCHEMBL5828061 0.80 EPHA2 (0.54) EPHA2KDREPHB4ERBB2DRD4
SCHEMBL5828059 0.80 EPHA2 (0.54) EPHA2KDREPHB4ERBB2DRD4
SCHEMBL4689353 0.79 KDR (0.55) EPHA2KDREPHB4ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
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