SCHEMBL7500181

SCHEMBL7500181

CN(C)CCNC(=O)c1cccn2c(=O)c3ccc(-c4ccncc4)cc3nc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 17/20 0.71
ECE1 P42892 1/20 0.70
MUS81 Q96NY9 1/20 0.70
KCNH2 Q12809 3/20 0.61
CYP1A2 P05177 3/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL7496170 0.93 POLR1A (0.71) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL7504818 0.90 POLR1A (0.68) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL7505939 0.85 POLR1A (0.76) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL7504121 0.83 POLR1A (0.68) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL13248367 0.83 POLR1A (1.00) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL25970712 0.83 POLR1A (0.81) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL25970715 0.80 POLR1A (0.76) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL7503807 0.79 POLR1A (0.76) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL25970726 0.79 POLR1A (0.75) POLR1AECE1MUS81KCNH2CYP1A2
SCHEMBL7499404 0.78 POLR1A (0.71) POLR1AECE1MUS81KCNH2CYP1A2

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-0944628-B1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID CO (US) 2002-06-05 EP claimed
EP-0944628-B1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID CO (US) 2002-06-05 EP disclosed