SCHEMBL4693980

SCHEMBL4693980

COc1cc2ncnc(SNC(=O)Nc3c(C)cccc3C)c2cc1OCC1COC(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.40
EPHA2 P29317 3/20 0.40
BRAF P15056 13/20 0.40
RET P07949 2/20 0.39
KIF5B P33176 2/20 0.39
EPHB4 P54760 2/20 0.39
ERBB2 P04626 1/20 0.39
RAF1 P04049 6/20 0.38

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
SCHEMBL4427820 0.81 KDR (0.55) KDRRETKIF5BRAF1
SCHEMBL4693982 0.81 EPHB4 (0.45) KDREPHA2RETKIF5BEPHB4
SCHEMBL4693096 0.80 KIT (0.50) KDREPHA2RETKIF5BEPHB4
SCHEMBL4686367 0.77 EGFR (0.55) KDRRETKIF5B
SCHEMBL4689472 0.73 EPHB4 (0.43) KDREPHA2EPHB4ERBB2
SCHEMBL4689382 0.73 EGFR (0.58) KDRRETKIF5BRAF1
SCHEMBL4689354 0.73 KDR (0.58) KDREPHA2RETKIF5BEPHB4
SCHEMBL4690072 0.73 EGFR (0.54) KDRRETKIF5B
SCHEMBL4690835 0.69 EGFR (0.56) KDREPHA2RETKIF5BEPHB4
SCHEMBL4690287 0.68 EGFR (0.56) KDREPHA2RETKIF5BEPHB4

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