SCHEMBL6983706

SCHEMBL6983706

CC(C)n1nc(-c2cc(Oc3ccccn3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GRM5 P41594 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6982469 0.87 CYP2C9 (0.39) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6989950 0.86 CYP3A4 (0.35) HTTTSHRALDH1A1NPSR1KDM4E
SCHEMBL6979346 0.85 ALDH1A1 (0.41) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6987616 0.85 GRM5 (0.38) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6986812 0.84 ALDH1A1 (0.40) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6987183 0.84 TSHR (0.45) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6985846 0.83 BCL2 (0.41) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6987419 0.82 ALDH1A1 (0.43) HTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL6982869 0.81 PKM (0.40) HTTTSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL6986605 0.80 HTT (0.48) HTTTSHRSMN1; SMN2ALDH1A1NPSR1

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