SCHEMBL4797403

SCHEMBL4797403

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3COCCO3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.57
FLT1 P17948 2/20 0.57
KDR P35968 2/20 0.57
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPK1 P28482 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL4801369 0.89 TEK (0.70) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4797878 0.81 TEK (0.68) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4802665 0.81 TEK (0.68) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4802670 0.80 TEK (0.55) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4804616 0.80 TEK (0.69) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4802464 0.80 TEK (0.64) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4795867 0.79 TEK (0.74) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4798686 0.78 TEK (0.72) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL4803546 0.78 TEK (0.66) TEKFLT1KDRALDH1A1KDM4E
SCHEMBL5748636 0.78 TEK (0.58) TEKFLT1KDRALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US claimed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed