SCHEMBL4725516

SCHEMBL4725516

COc1cc2ncnc(-c3cccnc3)c2cc1OCc1ccc2ccccc2n1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.49
CYP1A2 P05177 2/20 0.49
PDPK1 O15530 3/20 0.49
ATM Q13315 1/20 0.47
ENPP1 P22413 1/20 0.46
PDK1 Q15118 1/20 0.44
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL4728978 1.00 PDE10A (0.49) PDE10ACYP1A2PDPK1ATMENPP1
SCHEMBL4725063 0.92 PDPK1 (0.46) PDE10ACYP1A2PDPK1ATMENPP1
SCHEMBL4728463 0.92 PDPK1 (0.46) PDE10ACYP1A2PDPK1ATMENPP1
SCHEMBL4728934 0.90 PDE10A (0.57) PDE10ACYP1A2ENPP1PIK3CDPIK3CA
SCHEMBL4727863 0.90 PDE10A (0.57) PDE10ACYP1A2ENPP1PIK3CDPIK3CA
SCHEMBL4726967 0.89 PDE10A (0.52) PDE10ACYP1A2ENPP1
SCHEMBL4726394 0.89 PDE10A (0.52) PDE10ACYP1A2ENPP1
SCHEMBL4725061 0.84 ATM (0.57) PDE10ACYP1A2PDPK1ATMENPP1
SCHEMBL4727748 0.83 PDE10A (0.59) PDE10ACYP1A2
SCHEMBL4728459 0.83 PDE10A (0.56) PDE10ACYP1A2

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