SCHEMBL6982869

SCHEMBL6982869

CC(C)n1nc(-c2cc(OCc3ccncc3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MDM2 Q00987 2/20 0.36
GRM5 P41594 1/20 0.36
GRM3 Q14832 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ADORA3 P0DMS8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL6983515 0.89 ALDH1A1 (0.38) PKMHTTTSHRGRM5GRM3
SCHEMBL6987616 0.86 GRM5 (0.38) HTTTSHRSMN1; SMN2GRM5ALDH1A1
SCHEMBL6987183 0.85 TSHR (0.45) HTTTSHRSMN1; SMN2MDM2BCL2
SCHEMBL6987971 0.84 HTT (0.38) HTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL6987419 0.83 ALDH1A1 (0.43) HTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL6986812 0.82 ALDH1A1 (0.40) HTTTSHRSMN1; SMN2MDM2BCL2
SCHEMBL6986605 0.82 HTT (0.48) HTTTSHRSMN1; SMN2MDM2BCL2
SCHEMBL6983312 0.81 HTT (0.37) HTTTSHRSMN1; SMN2ALDH1A1
SCHEMBL6985846 0.81 BCL2 (0.41) HTTTSHRSMN1; SMN2MDM2BCL2
SCHEMBL6983706 0.81 HTT (0.36) HTTTSHRSMN1; SMN2GRM5ALDH1A1

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