SCHEMBL4696929

SCHEMBL4696929

CCCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
RAD52 P43351 3/20 0.71
POLB P06746 2/20 0.71
CHEK1 O14757 3/20 0.70
CDK1 P06493 1/20 0.70
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 5/20 0.64
HSD17B10 Q99714 4/20 0.64
NPSR1 Q6W5P4 3/20 0.64
USP2 O75604 3/20 0.64
MAPT P10636 3/20 0.64
TP53 P04637 2/20 0.64
TNK2 Q07912 1/20 0.63
AURKA O14965 9/20 0.63
TSHR P16473 3/20 0.61
LMNA P02545 2/20 0.61
PKM P14618 1/20 0.61
MAP2K1 Q02750 1/20 0.61

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
SCHEMBL4696845 1.00 KMT2A (0.73) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4520017 0.91 KMT2A (0.85) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4519934 0.91 KMT2A (0.72) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL12355146 0.91 KMT2A (0.76) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4531850 0.89 KMT2A (0.92) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4751310 0.89 KMT2A (0.68) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4531234 0.89 KMT2A (0.71) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527823 0.89 KMT2A (0.68) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4535665 0.89 KMT2A (0.71) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4524797 0.89 KMT2A (0.68) KMT2AMEN1RAD52POLBCHEK1

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-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed