SCHEMBL6981726

SCHEMBL6981726

COc1cc2c(NC(=Nc3c(C)cccc3C)NCCN(C)C)ncnc2cc1OCC1CNCCO1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 16/20 0.57
KDR P35968 2/20 0.54
EPHB4 P54760 2/20 0.54
KIT P10721 4/20 0.47

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
SCHEMBL5829045 0.88 EPHA2 (0.52) EPHA2KDREPHB4KIT
SCHEMBL5829043 0.88 EPHA2 (0.52) EPHA2KDREPHB4KIT
SCHEMBL5828868 0.86 HTT (0.48) KDR
SCHEMBL5828872 0.86 HTT (0.48) KDR
SCHEMBL6985534 0.85 EPHA2 (0.40) EPHA2KDREPHB4
SCHEMBL6984999 0.83 EPHA2 (0.59) EPHA2KDREPHB4
SCHEMBL5828728 0.81 EGFR (0.50) KDR
SCHEMBL5828729 0.81 EGFR (0.50) KDR
SCHEMBL5827881 0.81 RET (0.47) KDR
SCHEMBL5827885 0.81 RET (0.47) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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