SCHEMBL4789353

SCHEMBL4789353

CCCCN1CCC[C@@H](Oc2ncnc3oc(-c4ccccc4)c(-c4ccc(CC)cc4)c23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.44
LCK P06239 13/20 0.44
KDR P35968 3/20 0.44
EGFR P00533 2/20 0.44
SRC P12931 2/20 0.44
ZAP70 P43403 2/20 0.44
JAK3 P52333 2/20 0.44
JAK2 O60674 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
AURKA O14965 3/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL4788763 0.92 TNK2 (0.42) TNK2LCKKDREGFRSRC
SCHEMBL12607271 0.92 TNK2 (0.42) TNK2LCKKDREGFRSRC
SCHEMBL4698145 0.91 TNK2 (0.49) TNK2LCKKDREGFRSRC
SCHEMBL1784266 0.90 TNK2 (0.43) TNK2LCKKDREGFRSRC
SCHEMBL1786857 0.90 TNK2 (0.43) TNK2LCKKDREGFRSRC
SCHEMBL4753075 0.86 KDM4E (0.51) TNK2LCKKDREGFRSRC
SCHEMBL14467158 0.83 CHRNB4 (0.38) TNK2LCKKDREGFRSRC
SCHEMBL1787145 0.83 CHRNB4 (0.38) TNK2LCKKDREGFRSRC
SCHEMBL4750471 0.82 TNK2 (0.47) TNK2LCKKDREGFRSRC
SCHEMBL12607061 0.82 TNK2 (0.47) TNK2LCKKDREGFRSRC

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