SCHEMBL4696958

SCHEMBL4696958

CCCCCC(C)Oc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
UBE2N P61088 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDR P35968 5/20 0.51
TEK Q02763 5/20 0.51
TNK2 Q07912 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CHEK1 O14757 1/20 0.47
CDK1 P06493 1/20 0.47
POLB P06746 2/20 0.46
RAD52 P43351 2/20 0.46
GSK3B P49841 1/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
HIF1A Q16665 2/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 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
SCHEMBL6750702 0.89 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530234 0.89 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750708 0.89 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519965 0.88 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519959 0.88 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530312 0.88 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519961 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4535596 0.86 KDM4E (0.62) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749027 0.86 KDM4E (0.62) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL3159267 0.85 TEK (0.41) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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