SCHEMBL4866608

SCHEMBL4866608

C=CNc1ccnn1CC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CTSK P43235 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL13912546 0.81 MEN1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1207604 0.76 — —
SCHEMBL22303490 0.75 — —
SCHEMBL4565798 0.75 — —
SCHEMBL3606132 0.74 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14290764 0.72 CTSK (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12403897 0.72 CNR2 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL16713423 0.72 MAPK13 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL583550 0.71 DHODH (0.57) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL583690 0.70 CRHR1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934219-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-25 — — EP disclosed
EP-1931668-A2 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 — — EP disclosed
WO-2007031838-A1 SUBSTITUTED PYRAZOLO [3,4-B] PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-22 — — WO disclosed
WO-2007031977-A2 SUBSTITUTED PYRAZOLO [3,4-B]PYRIDINES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-22 — — WO disclosed
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