SCHEMBL6985326

SCHEMBL6985326

COc1cc2c(NC(=NCCCN(C)C)Nc3c(C)cccc3C)ncnc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.49
HTT P42858 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
LCK P06239 1/20 0.47
KDM1A O60341 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
RET P07949 3/20 0.46
KIF5B P33176 2/20 0.46
KDR P35968 4/20 0.46
MAPK1 P28482 2/20 0.44
RAF1 P04049 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.43
ERBB2 P04626 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL6985649 0.93 RET (0.49) EGFRHTTHPGDKDM4ELMNA
SCHEMBL6981911 0.88 HTT (0.48) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5828850 0.83 KDM1A (0.49) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5828851 0.83 KDM1A (0.49) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5828728 0.81 EGFR (0.50) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5828729 0.81 EGFR (0.50) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5828058 0.81 KDR (0.48) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5828053 0.81 KDR (0.48) EGFRHTTHPGDKDM4ELMNA
SCHEMBL4689455 0.80 EGFR (0.58) EGFRHTTHPGDKDM4ELMNA
SCHEMBL5827885 0.75 RET (0.47) EGFRHTTHPGDRETKIF5B

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