SCHEMBL6987522

SCHEMBL6987522

CC(C)n1nc(-c2ccnn2-c2ccccc2N2CCN(C)CC2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
BRD9 Q9H8M2 5/20 0.35
BRPF1 P55201 3/20 0.35
ADRA2C P18825 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL6986889 0.85 L3MBTL1 (0.40) KMT2ALMNAMAPTHRH3ALDH1A1
SCHEMBL6987568 0.81 BMPR1B (0.35) LMNAMAPTBMPR1BBMPR1ATGFBR1
SCHEMBL6988129 0.80 TSHR (0.40) KMT2AMAPTMAPK1SMN1; SMN2POLB
SCHEMBL6988697 0.79 NR3C2 (0.43)
SCHEMBL6981881 0.78 PDE10A (0.43) LMNAPOLBALDH1A1
SCHEMBL6984622 0.74 AGTR2 (0.39) KMT2ALMNABMPR1BBMPR1ATGFBR1
SCHEMBL6987158 0.73 MEN1 (0.46) KMT2ALMNAMAPTSMN1; SMN2POLB
SCHEMBL6986823 0.69 MGLL (0.60) LMNASMN1; SMN2BRD4NPC1ALDH1A1
SCHEMBL6987595 0.67 TDP1 (0.42) KMT2ASMN1; SMN2POLBALDH1A1TDP1
SCHEMBL6981026 0.67 AGTR2 (0.40) KMT2ALMNAMAPTMAPK1SMN1; 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