SCHEMBL6985649

SCHEMBL6985649

COc1cc2ncnc(NC(=NCCCN(C)C)Nc3c(C)cccc3C)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.49
KIF5B P33176 6/20 0.49
HTT P42858 5/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
EGFR P00533 7/20 0.46
RAF1 P04049 1/20 0.46
MAPK1 P28482 1/20 0.46
KDR P35968 5/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
CDK2 P24941 1/20 0.45
PIK3R1 P27986 1/20 0.45
EPHB2 P29323 1/20 0.45
TTBK1 Q5TCY1 1/20 0.45
NOD1 Q9Y239 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL6981911 0.94 HTT (0.48) RETKIF5BHTTHPGDALDH1A1
SCHEMBL6985326 0.93 EGFR (0.49) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5827885 0.81 RET (0.47) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5827881 0.81 RET (0.47) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5828872 0.79 HTT (0.48) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5828868 0.79 HTT (0.48) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5828880 0.78 KDR (0.51) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5828878 0.78 KDR (0.51) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5828851 0.75 KDM1A (0.49) RETKIF5BHTTHPGDALDH1A1
SCHEMBL5828850 0.75 KDM1A (0.49) RETKIF5BHTTHPGDALDH1A1

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