SCHEMBL4697193

SCHEMBL4697193

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)(C)O)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
UBE2N P61088 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TNK2 Q07912 2/20 0.47
CHEK1 O14757 3/20 0.47
AURKA O14965 10/20 0.46
MAP2K1 Q02750 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LCK P06239 1/20 0.43
EGFR P00533 3/20 0.43
MERTK Q12866 1/20 0.42

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
SCHEMBL4532810 0.82 AURKA (0.48) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749032 0.82 AURKA (0.55) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4531686 0.82 AURKA (0.55) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6749031 0.81 AURKA (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4525589 0.81 AURKA (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4699375 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL14467241 0.79 TNK2 (0.56) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4540012 0.79 CHEK1 (0.44) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL1785983 0.78 TNK2 (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4698505 0.78 AURKA (0.46) 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