SCHEMBL5748636

SCHEMBL5748636

Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3C[C@@H]3CCCC[C@H]3O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.58
FLT1 P17948 2/20 0.58
KDR P35968 2/20 0.58
CAMKK2 Q96RR4 1/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 2/20 0.37
MAP2K5 Q13163 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL4802520 1.00 TEK (0.58) TEKFLT1KDRCAMKK2KDM4E
SCHEMBL4802665 0.87 TEK (0.68) TEKFLT1KDRCAMKK2KDM4E
SCHEMBL4797878 0.87 TEK (0.68) TEKFLT1KDRCAMKK2KDM4E
SCHEMBL4801369 0.82 TEK (0.70) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4797422 0.81 TEK (0.57) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4797429 0.81 TEK (0.57) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4801078 0.80 TEK (0.71) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4795867 0.80 TEK (0.74) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4804616 0.79 TEK (0.69) TEKFLT1KDRKDM4EALDH1A1
SCHEMBL4798686 0.79 TEK (0.72) TEKFLT1KDRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP claimed