SCHEMBL6981093

SCHEMBL6981093

COc1cc2c(NC(=Nc3c(C)cccc3C)NCCN(C)C)ncnc2cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
AURKB Q96GD4 2/20 0.45
RET P07949 12/20 0.45
AURKA O14965 1/20 0.44
KIF5B P33176 8/20 0.43
KDR P35968 7/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
BRAF P15056 2/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL6986020 0.95 EGFR (0.46) EGFRAURKBRETAURKAKIF5B
SCHEMBL5828872 0.94 HTT (0.48) EGFRRETKIF5BKDRALDH1A1
SCHEMBL5828868 0.94 HTT (0.48) EGFRRETKIF5BKDRALDH1A1
SCHEMBL5827881 0.88 RET (0.47) EGFRAURKBRETKIF5BKDR
SCHEMBL5827885 0.88 RET (0.47) EGFRAURKBRETKIF5BKDR
SCHEMBL5828728 0.87 EGFR (0.50) EGFRAURKBRETAURKAKDR
SCHEMBL5828729 0.87 EGFR (0.50) EGFRAURKBRETAURKAKDR
SCHEMBL5828499 0.84 RET (0.41) EGFRAURKBRETAURKAKIF5B
SCHEMBL5828492 0.84 RET (0.41) EGFRAURKBRETAURKAKIF5B
SCHEMBL5828851 0.82 KDM1A (0.49) EGFRAURKBRETAURKAKIF5B

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