SCHEMBL6983515

SCHEMBL6983515

CC(C)n1nc(-c2cc(OCc3cccnc3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.37
HIF1A Q16665 1/20 0.37
USP8 P40818 1/20 0.36
GRM5 P41594 1/20 0.36
GRM3 Q14832 1/20 0.36
SNRNP200 O75643 1/20 0.36
GPR132 Q9UNW8 4/20 0.36
IKBKB O14920 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
DHODH Q02127 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
SCHEMBL6982869 0.89 PKM (0.40) ALDH1A1PKMHTTGRM5GRM3
SCHEMBL6987183 0.85 TSHR (0.45) ALDH1A1HTTTSHR
SCHEMBL6987616 0.83 GRM5 (0.38) ALDH1A1HTTGRM5TSHR
SCHEMBL6987419 0.81 ALDH1A1 (0.43) ALDH1A1HTTTSHR
SCHEMBL6986812 0.79 ALDH1A1 (0.40) ALDH1A1HTTTSHR
SCHEMBL6986605 0.79 HTT (0.48) ALDH1A1HTTTSHR
SCHEMBL6983312 0.79 HTT (0.37) ALDH1A1HTTTSHR
SCHEMBL6985846 0.78 BCL2 (0.41) ALDH1A1HTTTSHR
SCHEMBL6983706 0.78 HTT (0.36) ALDH1A1KDM4EHTTGRM5TSHR
SCHEMBL6984423 0.78 ATM (0.38) ALDH1A1HTT

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