SCHEMBL4697808

SCHEMBL4697808

CCCCCCNc1ncnc2oc(-c3ccccc3C(F)(F)F)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
RAD52 P43351 3/20 0.57
POLB P06746 2/20 0.57
CHEK1 O14757 2/20 0.56
CDK1 P06493 1/20 0.56
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 5/20 0.53
HSD17B10 Q99714 5/20 0.53
NPSR1 Q6W5P4 3/20 0.53
USP2 O75604 3/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
AURKA O14965 7/20 0.48
TNK2 Q07912 1/20 0.48
MAP2K1 Q02750 1/20 0.44

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
SCHEMBL4521063 0.90 KMT2A (0.57) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4537715 0.90 KMT2A (0.57) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4696845 0.86 KMT2A (0.73) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4696929 0.86 KMT2A (0.73) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4696195 0.80 KMT2A (0.61) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4698205 0.79 KMT2A (0.62) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4535672 0.78 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4527764 0.78 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4531282 0.78 KMT2A (0.60) KMT2AMEN1RAD52POLBCHEK1
SCHEMBL4535828 0.78 KMT2A (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
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