SCHEMBL6987568

SCHEMBL6987568

CC(C)n1nc(-c2ccnn2-c2ccccc2O)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HSD11B1 P28845 1/20 0.33
POLB P06746 5/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6988697 0.83 NR3C2 (0.43) TP53ADORA3ADORA1ADORA2ANR3C2
SCHEMBL6981881 0.82 PDE10A (0.43) POLBTP53LMNACYP2C8CYP2C9
SCHEMBL6987522 0.81 KMT2A (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6986889 0.79 L3MBTL1 (0.40) LMNAMAPTKDM4EGAAHRH3
SCHEMBL6987158 0.75 MEN1 (0.46) POLBLMNAMAPTTHRBKDM4E
SCHEMBL6988129 0.74 TSHR (0.40) POLBTP53MAPTTDP1KDM4E
SCHEMBL6986371 0.70 ALDH1A1 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6984146 0.69 HIF1A (0.42) POLBTP53CA12CA1CA2
SCHEMBL7367730 0.69 NPBWR1 (0.39) CA12CA1CA2CA9MAPT
SCHEMBL6822091 0.65 ADORA1 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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