SCHEMBL8808487

SCHEMBL8808487

CN(C)C(=O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.73
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 2/20 0.45
IGF1R P08069 1/20 0.45
HTT P42858 2/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8807266 0.89 ADORA1 (0.88) ADORA1MAPK1KDM4EIGF1RHTT
SCHEMBL8807841 0.87 ADORA1 (0.77) ADORA1MAPK1KDM4EIGF1RHTT
SCHEMBL8808083 0.86 ADORA1 (0.73) ADORA1MAPK1KDM4EIGF1RHTT
SCHEMBL7291831 0.86 ADORA1 (0.70) ADORA1MAPK1KDM4EIGF1RHTT
SCHEMBL19829272 0.86 ADORA1 (0.86) ADORA1MAPK1KDM4EIGF1RHTT
Hydrochloric Acid SCHEMBL7301696 0.85 ADORA1 (0.68) ADORA1MAPK1KDM4EIGF1RUSP2
SCHEMBL2641189 0.85 ADORA1 (1.00) ADORA1MAPK1KDM4EIGF1RHTT
SCHEMBL7299166 0.84 ADORA1 (0.77) ADORA1MAPK1KDM4EIGF1RHTT
SCHEMBL8810012 0.84 ADORA1 (0.73) ADORA1MAPK1KDM4EIGF1RHTT
Hydrochloric Acid SCHEMBL7291661 0.84 ADORA1 (0.73) ADORA1MAPK1IGF1RHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379979-B1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-19 EP disclosed
US-5155114-A Treating or preventing renal toxicity, nephrosis, nephritis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
US-4985444-A Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed