SCHEMBL20003182

SCHEMBL20003182

NCCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 19/20 0.76
ECE1 P42892 1/20 0.76
MUS81 Q96NY9 1/20 0.76
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
PKM P14618 1/20 0.74
HTT P42858 1/20 0.74
KMT2A Q03164 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74

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
SCHEMBL20003190 0.89 POLR1A (0.80) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL13984171 0.88 POLR1A (0.78) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL25761777 0.87 KDM4E (0.81) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL18650616 0.87 POLR1A (0.82) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL22421609 0.86 POLR1A (0.75) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL25761631 0.86 KDM4E (0.80) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL13248367 0.86 POLR1A (1.00) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL17099665 0.85 POLR1A (1.00) POLR1AECE1MUS81KDM4EMEN1
SCHEMBL17099668 0.85 POLR1A (1.00) POLR1A
SCHEMBL22421594 0.85 POLR1A (0.72) POLR1AECE1MUS81KDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515448-B1 COMBINATORY TREATMENT STRATEGIES OF CANCER BASED ON RNA POLYMERASE I INHIBITION UNIV JOHNS HOPKINS (US) 2023-07-05 EP disclosed
EP-3778600-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE, COMPOSITIONS INCLUDING SUCH COMPOUNDS, AND THEIR USE The Johns Hopkins University (US) 2021-02-17 EP disclosed
EP-3119781-B1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE, COMPOSITIONS INCLUDING SUCH COMPOUNDS, AND THEIR USE UNIV JOHNS HOPKINS (US) 2020-09-16 EP disclosed
WO-2018057834-A1 COMBINATORY TREATMENT STRATEGIES OF CANCER BASED ON RNA POLYMERASE I INHIBITION THE JOHNS HOPKINS UNIVERSITY (US) 2018-03-29 WO disclosed