SCHEMBL6988945

SCHEMBL6988945

CC(C)n1nc(-c2cc(C(=O)N3CCCC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.49
MALT1 Q9UDY8 1/20 0.48
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CHRNA7 P36544 1/20 0.42
PTGS2 P35354 2/20 0.41
RPA1 P27694 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL7090364 0.99 MGLL (0.48) MGLLMALT1ALDH1A1MEN1MAPT
SCHEMBL6986823 0.92 MGLL (0.60) MGLLMALT1ALDH1A1PTGS2LMNA
SCHEMBL6986647 0.92 MGLL (0.50) MGLLMALT1PTGS2RPA1
SCHEMBL6988238 0.86 MGLL (0.51) MGLLALDH1A1MEN1MAPK1KMT2A
SCHEMBL6988584 0.80 USP2 (0.43) MGLLALDH1A1MEN1MAPTMAPK1
SCHEMBL6986371 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1KMT2ARPA1POLB
SCHEMBL6986113 0.78 AGTR2 (0.41) MGLLALDH1A1MEN1KMT2AUSP2
SCHEMBL6987355 0.76 ALDH1A1 (0.38) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL6981026 0.76 AGTR2 (0.40) MGLLALDH1A1MEN1MAPTMAPK1
SCHEMBL6985626 0.75 SLC5A1 (0.43) MAPTSMN1; SMN2

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