SCHEMBL6983748

SCHEMBL6983748

CC(C)n1nc(-c2cc(NC(=O)c3ccccc3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CXCR5 P32302 1/20 0.43
APLNR P35414 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC5A1 P13866 5/20 0.42
ADORA3 P0DMS8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6985626 0.89 SLC5A1 (0.43) SMN1; SMN2SLC5A1
SCHEMBL6985081 0.88 SLC5A1 (0.42) ALDH1A1SMN1; SMN2SLC5A1ADORA3
SCHEMBL6979355 0.83 SOAT2 (0.42) SLC5A1
SCHEMBL6984285 0.81 PTGS2 (0.40) GAAALDH1A1SLC5A1ADORA3
SCHEMBL6986371 0.79 ALDH1A1 (0.41) GAAALDH1A1MAPK1KMT2A
SCHEMBL6987355 0.77 ALDH1A1 (0.38) GAAALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL6986812 0.75 ALDH1A1 (0.40) GAALMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL6988584 0.75 USP2 (0.43) LMNAALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL6985846 0.74 BCL2 (0.41) GAAALDH1A1SMN1; SMN2SLC5A1KMT2A
SCHEMBL6538384 0.74 TP53 (0.44) GRM5LMNAADORA3MEN1KMT2A

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
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed