SCHEMBL4728463

SCHEMBL4728463

COc1cc2c(-c3cccnc3)ncnc2cc1OCCc1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.46
ATM Q13315 1/20 0.45
PDE10A Q9Y233 3/20 0.45
ENPP1 P22413 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
GBA1 P04062 1/20 0.41
PDK1 Q15118 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4725063 1.00 PDPK1 (0.46) PDPK1ATMPDE10AENPP1PIK3CD
SCHEMBL4728978 0.92 PDE10A (0.49) PDPK1ATMPDE10AENPP1PIK3CD
SCHEMBL4725516 0.92 PDE10A (0.49) PDPK1ATMPDE10AENPP1PIK3CD
SCHEMBL4728977 0.90 PDE10A (0.47) PDE10AENPP1PIK3CDPIK3CAPIK3CB
SCHEMBL4728469 0.90 PDE10A (0.47) PDE10AENPP1PIK3CDPIK3CAPIK3CB
SCHEMBL4726586 0.90 PDE10A (0.44) ATMPDE10AENPP1PIK3CDPIK3CA
SCHEMBL4725040 0.90 PDE10A (0.44) ATMPDE10AENPP1PIK3CDPIK3CA
SCHEMBL4727531 0.83 EGFR (0.46) PDE10AENPP1PIK3CDPIK3CAPIK3CB
SCHEMBL4727502 0.83 PDE10A (0.43) PDE10APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL4725061 0.82 ATM (0.57) PDPK1ATMPDE10AENPP1PDGFRB

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
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed