SCHEMBL9682096

SCHEMBL9682096

Nc1ncnc2ncn(C(=O)c3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
EGFR P00533 2/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
ADORA2A P29274 3/20 0.42
ADORA1 P30542 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DYRK1A Q13627 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.35
GSK3B P49841 1/20 0.35
XDH P47989 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
SCHEMBL5360511 0.72 ADORA2A (0.46) EGFRSRCKDRTEKADORA2A
SCHEMBL5694141 0.68 DYRK1A (0.47) ALDH1A1KMT2ARAB9ATSHRL3MBTL1
SCHEMBL25230669 0.68 ELANE (0.48) ALDH1A1ADORA2AADORA1KMT2ARAB9A
SCHEMBL4343213 0.67 ADORA2A (0.60) ALDH1A1EGFRSRCKDRTEK
SCHEMBL12223673 0.65 KMT2A (0.53) ALDH1A1ADORA2AADORA1KMT2ARAB9A
SCHEMBL5694058 0.65 EGFR (0.42) EGFRADORA2AADORA1KMT2ARAB9A
SCHEMBL5694208 0.65 CFTR (0.53) EGFRADORA2AADORA1KMT2A
SCHEMBL3477048 0.65 KMT2A (0.77) ALDH1A1DNMT3AKMT2ARAB9ATSHR
SCHEMBL27589887 0.65 FDPS (0.50) ALDH1A1KMT2ARAB9ATSHRL3MBTL1
SCHEMBL946620 0.64 ADORA2A (0.56) EGFRSRCKDRTEKADORA2A

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-0464638-A2 Oligonucleotide analogues with terminal 3'-3' or 5'-5'-internucleotide linkages HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed