SCHEMBL6981026

SCHEMBL6981026

CC(C)n1nc(-c2cc(N3CCN(c4ccccc4)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KHK P50053 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37
MCOLN2 Q8IZK6 1/20 0.37
MGLL Q99685 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6984622 0.93 AGTR2 (0.39) AGTR2HRH3KHKALDH1A1SMN1; SMN2
SCHEMBL6988437 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6986283 0.91 HTR2C (0.42) AGTR2KHK
SCHEMBL6981802 0.90 ALDH1A1 (0.42) AGTR2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL6986113 0.90 AGTR2 (0.41) AGTR2ALDH1A1SMN1; SMN2ALOX15MGLL
SCHEMBL6983767 0.89 DRD4 (0.41) AGTR2KHKMAPTKDM4EALDH1A1
SCHEMBL6986237 0.88 AGTR2 (0.39) AGTR2HRH3MAPTKDM4EALDH1A1
SCHEMBL6988584 0.88 USP2 (0.43) AGTR2HRH3KHKMAPTALDH1A1
SCHEMBL6984282 0.88 HSD17B10 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6984642 0.87 HRH3 (0.39) AGTR2HRH3HSD11B1

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