SCHEMBL4753075

SCHEMBL4753075

CCCN1CCCC(Oc2ncnc3oc(-c4ccccc4)c(-c4ccc(OC)cc4)c23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
UBE2N P61088 1/20 0.51
TNK2 Q07912 9/20 0.51
LCK P06239 7/20 0.49
KDR P35968 4/20 0.49
EGFR P00533 2/20 0.49
SRC P12931 2/20 0.49
ZAP70 P43403 2/20 0.49
JAK3 P52333 2/20 0.49
JAK2 O60674 1/20 0.49
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL4698145 0.95 TNK2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL1786593 0.91 TNK2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL1787327 0.91 TNK2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL12607170 0.91 TNK2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL1785467 0.91 TNK2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL12607137 0.89 TNK2 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL4750471 0.89 TNK2 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL12607061 0.89 TNK2 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL1787960 0.88 TNK2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N
SCHEMBL12607216 0.87 TNK2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2UBE2N

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-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed