SCHEMBL8630201

SCHEMBL8630201

CNc1nc(NCCO)nc(NCCO)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
SLC29A1 Q99808 4/20 0.47
ALDH1A1 P00352 2/20 0.42
KCNH3 Q9ULD8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CDK1 P06493 1/20 0.40
GBA1 P04062 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL1032510 0.87 KMT2A (0.60) KMT2AGAAMEN1MAPK1RECQL
SCHEMBL15402702 0.85 KMT2A (0.73) KMT2AGAAMEN1MAPK1RECQL
SCHEMBL21325585 0.85 KCNH3 (0.53) KMT2AGAAMEN1MAPK1RECQL
SCHEMBL8039569 0.81 KMT2A (0.61) KMT2AGAAMEN1MAPK1RECQL
SCHEMBL19670086 0.80 CA1 (0.39) KMT2AGAAMEN1MAPK1RECQL
SCHEMBL13752164 0.80 CA1 (0.43) KMT2ASLC29A1KCNH3CA1CA2
SCHEMBL17018663 0.80 RECQL (0.54) KMT2AGAAMEN1MAPK1RECQL
SCHEMBL16094829 0.78 SLC29A1 (0.71) KMT2AGAAMEN1MAPK1SLC29A1
SCHEMBL9102166 0.78 CYP1A2 (0.53) KMT2AMEN1KCNH3CA1CA2
SCHEMBL14380953 0.78 KMT2A (0.52) KMT2AGAAMEN1MAPK1RECQL

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-0632805-B1 MELAMINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CANCER RES CAMPAIGN TECH (GB) 1998-07-08 EP disclosed
US-5534625-A 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVES; OVARIES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1996-07-09 US disclosed