SCHEMBL8824653

SCHEMBL8824653

NC(=O)Nc1cccc(Nc2nnn[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
EGFR P00533 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
GPR35 Q9HC97 1/20 0.37
RAD52 P43351 1/20 0.36
PPIA P62937 1/20 0.36
DDX3X O00571 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
PEPD P12955 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 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
SCHEMBL8773951 0.82 ALPL (0.43) KCNK3KCNK9MEN1KMT2A
SCHEMBL8824659 0.80 PARP1 (0.41) ROCK1
SCHEMBL8824762 0.79 MAPT (0.37) KIF11MAPTGAAGFERPEPD
SCHEMBL9203352 0.77 MEN1 (0.50) MAPTGAAGFEREGFRDDX3X
SCHEMBL9573406 0.77 MAPT (0.43) KIF11MAPTFGFR3KDRMEN1
SCHEMBL3690365 0.76 MAPT (0.59) KIF11MAPTGAAGFERGPR35
SCHEMBL8824674 0.75 ADRA2A (0.48) KIF11MAPTGAAGFEREGFR
SCHEMBL8773979 0.75 BRD4 (0.43) PPIAROCK1
SCHEMBL1260050 0.74
SCHEMBL2836274 0.72 MEN1 (0.46) MAPTGAAGFERLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681833-A ADMINSTERING FOR TREATMENT OF PEPTIC ULCER MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 US claimed
US-5681833-A ADMINSTERING FOR TREATMENT OF PEPTIC ULCER MERCK, SHARP & DOHME LTD. (GB) 1997-10-28 US disclosed