SCHEMBL6986823

SCHEMBL6986823

CC(C)n1nc(-c2cc(C(=O)N3CCN(C)CC3)nn2-c2ccccc2)ccc1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.60
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NTRK1 P04629 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PARP1 P09874 1/20 0.40
PTGS2 P35354 2/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
RARG P13631 1/20 0.40
RXRA P19793 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL6986647 0.92 MGLL (0.50) MGLLNTRK1PTGS2MALT1
SCHEMBL6988945 0.92 MGLL (0.49) MGLLHPGDALDH1A1SMN1; SMN2PTGS2
SCHEMBL7090364 0.91 MGLL (0.48) MGLLHPGDALDH1A1SMN1; SMN2PTGS2
SCHEMBL6988238 0.86 MGLL (0.51) MGLLKDM4EHPGDALDH1A1LMNA
SCHEMBL6984622 0.81 AGTR2 (0.39) MGLLALDH1A1SMN1; SMN2BRD4LMNA
SCHEMBL6987595 0.81 TDP1 (0.42) MGLLKDM4EALDH1A1SMN1; SMN2
SCHEMBL6988584 0.80 USP2 (0.43) MGLLALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL6986113 0.78 AGTR2 (0.41) MGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL6986889 0.77 L3MBTL1 (0.40) MGLLKDM4EALDH1A1RAB9ALMNA
SCHEMBL6986371 0.77 ALDH1A1 (0.41) ALDH1A1NPC1RAB9A

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