SCHEMBL6988129

SCHEMBL6988129

CC(C)n1nc(-c2ccnn2-c2ccccc2OCC(=O)N2CCN(C)CC2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FKBP1A P62942 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL6987158 0.94 MEN1 (0.46) TSHRL3MBTL1POLBMEN1KMT2A
SCHEMBL6986889 0.82 L3MBTL1 (0.40) CASP1CASP7L3MBTL1KMT2AMAPT
SCHEMBL6987522 0.80 KMT2A (0.38) MAPK1POLBTDP1KMT2ASMN1; SMN2
SCHEMBL6988697 0.79 NR3C2 (0.43) TP53
SCHEMBL6987595 0.78 TDP1 (0.42) L3MBTL1POLBTDP1MEN1KMT2A
SCHEMBL6986523 0.71 HTT (0.42) TSHRL3MBTL1TDP1MEN1KMT2A
SCHEMBL6822527 0.71 POLB (0.45) TSHRTP53MAPK1L3MBTL1POLB
SCHEMBL6986938 0.70 LMNA (0.42) TSHRTP53L3MBTL1TDP1MEN1
SCHEMBL6981881 0.70 PDE10A (0.43) TSHRTP53POLBALDH1A1GAA
SCHEMBL6983758 0.68 HTT (0.41) TSHRL3MBTL1TDP1SMN1; SMN2KDM4E

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