SCHEMBL4553902

SCHEMBL4553902

CCc1c(NC2CCCC2)c(C)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE4B Q07343 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
SCHEMBL4552645 0.93 POLB (0.34) SMN1; SMN2HTTLMNAPOLBPDE4B
SCHEMBL6932431 0.68 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL2612158 0.67 GAA (0.40) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL22572879 0.66 NMT1 (0.41) GAAPOLB
SCHEMBL22573154 0.64 MAPK1 (0.44) ALDH1A1MAPK1GAATSHRPDE4B
SCHEMBL582832 0.64 NR3C1 (0.51) CYP3A4CNR1CNR2POLBCHRM4
SCHEMBL3422561 0.62 LMNA (0.38) SMN1; SMN2CYP3A4CNR1CNR2LMNA
SCHEMBL17437785 0.62 NMT1 (0.40) RAB9AHPGDNPC1HTTKDM4E
SCHEMBL23402164 0.62 KDM4E (0.33) SMN1; SMN2HTTKDM4EGAALMNA
SCHEMBL7357745 0.62 KDM4E (0.43) SMN1; SMN2ALDH1A1RAB9AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO disclosed
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