SCHEMBL10697822

SCHEMBL10697822

FC(F)(F)COc1nc2ncccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.47
METAP1 P53582 2/20 0.43
METAP2 P50579 1/20 0.43
PDE5A O76074 8/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AURKA O14965 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BACE1 P56817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
PRMT5 O14744 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL29745294 0.80 PDE5A (0.60) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL10696479 0.80 PDE5A (0.60) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL10695892 0.76 PDE5A (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL10695856 0.75 PDE5A (0.61) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL23122458 0.75 AURKA (0.58) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL11584027 0.75 HCAR2 (0.61) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL27678090 0.73 AURKA (0.56) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL31499116 0.69 NUDT1 (0.51) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL24520478 0.69 NUDT1 (0.60) NUDT1METAP1METAP2PDE5ATP53
SCHEMBL1170747 0.68 METAP1 (0.72) NUDT1METAP1METAP2PDE5AAURKA

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-0254588-A1 Imidazo[4,5-b] pyridine compounds, process for preparing same and pharmaceutical compositions containing same TOKYO TANABE COMPANY LIMITED (JP) 1988-01-27 EP claimed