SCHEMBL6985534

SCHEMBL6985534

COc1cc2c(NC(=Nc3c(C)cccc3C)NCCN(C)C)ncnc2cc1OCC1COCCN1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 15/20 0.40
RET P07949 2/20 0.38
EGFR P00533 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDR P35968 4/20 0.38
EPHB4 P54760 3/20 0.38
KIF5B P33176 1/20 0.37

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
SCHEMBL5828595 0.88 EPHA2 (0.36) EPHA2RETEGFRMAPK14KDR
SCHEMBL5828594 0.88 EPHA2 (0.36) EPHA2RETEGFRMAPK14KDR
SCHEMBL6981726 0.85 EPHA2 (0.57) EPHA2KDREPHB4
SCHEMBL5828868 0.85 HTT (0.48) RETEGFRMAPK14KDRKIF5B
SCHEMBL5828872 0.85 HTT (0.48) RETEGFRMAPK14KDRKIF5B
SCHEMBL6983822 0.82 EPHA2 (0.42) EPHA2RETEGFRMAPK14KDR
SCHEMBL5828729 0.81 EGFR (0.50) RETEGFRMAPK14KDR
SCHEMBL5828728 0.81 EGFR (0.50) RETEGFRMAPK14KDR
SCHEMBL5827881 0.81 RET (0.47) RETEGFRKDRKIF5B
SCHEMBL5827885 0.81 RET (0.47) RETEGFRKDRKIF5B

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