SCHEMBL6989388

SCHEMBL6989388

CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(NC(N)=O)cc23)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.37
IGF1R P08069 1/20 0.37
MAPT P10636 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
RET P07949 1/20 0.34
LMNA P02545 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
SCHEMBL6822360 0.92 ADORA1 (0.44) ADORA1TP53POLBMAPK1IGF1R
SCHEMBL6818390 0.92 ADORA1 (0.44) ADORA1TP53POLBMAPK1IGF1R
SCHEMBL6818870 0.91 ADORA1 (0.43) ADORA1TP53POLBMAPK1IGF1R
SCHEMBL6822479 0.91 TP53 (0.45) ADORA1TP53POLBIGF1RMAPT
SCHEMBL6824283 0.90 ADORA1 (0.42) ADORA1TP53POLBMAPK1LMNA
SCHEMBL6822610 0.90 ADORA1 (0.42) ADORA1TP53POLBMAPK1IGF1R
SCHEMBL6818403 0.87 ADORA1 (0.40) ADORA1TP53POLBIGF1R
SCHEMBL6822191 0.85 ADORA1 (0.45) ADORA1TP53POLBMAPK1MAPT
SCHEMBL6825096 0.84 ADORA1 (0.39) ADORA1TP53POLBMAPK1IGF1R
SCHEMBL6818544 0.83 ADORA1 (0.46) ADORA1TP53POLBMAPK1IGF1R

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