SCHEMBL6986889

SCHEMBL6986889

CC(C)n1nc(-c2ccnn2-c2ccccc2C(=O)N2CCN(C)CC2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
BCL2 P10415 3/20 0.38
BAD Q92934 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTT P42858 1/20 0.37
PDE11A Q9HCR9 1/20 0.36
MGLL Q99685 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6987522 0.85 KMT2A (0.38) KMT2AALDH1A1LMNARAB9AMAPT
SCHEMBL6988129 0.82 TSHR (0.40) L3MBTL1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL6986823 0.77 MGLL (0.60) ALDH1A1LMNAKDM4ERAB9AMGLL
SCHEMBL6981881 0.76 PDE10A (0.43) ALDH1A1LMNAHTTGAA
SCHEMBL6987158 0.75 MEN1 (0.46) L3MBTL1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6988697 0.75 NR3C2 (0.43) MGLL
SCHEMBL6986647 0.69 MGLL (0.50) MGLL
SCHEMBL6987595 0.69 TDP1 (0.42) L3MBTL1KMT2AALDH1A1KDM4EHTT
SCHEMBL6988945 0.69 MGLL (0.49) BCL2KMT2AALDH1A1LMNAMAPT
SCHEMBL6984622 0.68 AGTR2 (0.39) KMT2AALDH1A1LMNAHRH3MGLL

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