SCHEMBL4691126

SCHEMBL4691126

COc1cc2ncnc(N)c2cc1OCC1CCCCO1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 18/20 0.58
KDR P35968 12/20 0.58
RET P07949 1/20 0.54
KIF5B P33176 1/20 0.54
EPHB4 P54760 11/20 0.47
ERBB2 P04626 6/20 0.47
EGFR P00533 2/20 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
SCHEMBL4689911 0.97 EPHA2 (0.61) EPHA2KDRRETKIF5BEPHB4
SCHEMBL16760347 0.83 EPHA2 (0.67) EPHA2KDRRETKIF5BEPHB4
SCHEMBL26069947 0.81 EPHA2 (0.50) EPHA2KDRRETKIF5B
SCHEMBL4424669 0.81 KDR (0.56) EPHA2KDRRETKIF5BEPHB4
SCHEMBL5648497 0.79 EPHA2 (0.73) EPHA2KDRRETKIF5BEPHB4
SCHEMBL4690822 0.79 ENPP1 (0.47) EPHA2KDREPHB4ERBB2EGFR
SCHEMBL4689349 0.78 MEN1 (0.68) EPHA2KDRRETKIF5BEPHB4
SCHEMBL907202 0.77 EPHA2 (0.95) EPHA2KDREPHB4ERBB2EGFR
SCHEMBL4689472 0.77 EPHB4 (0.43) EPHA2KDREPHB4ERBB2EGFR
SCHEMBL6775063 0.77 ABL1 (0.52) EPHA2KDREPHB4ERBB2EGFR

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