SCHEMBL3722967

SCHEMBL3722967

Cc1cc2ccccc2nc1-c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.70
CYP2A6 P11509 3/20 0.55
MBNL1 Q9NR56 1/20 0.50
RAD51 Q06609 1/20 0.49
LCK P06239 1/20 0.48
NPY5R Q15761 2/20 0.48
CYP11B1 P15538 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B2 P19099 1/20 0.47
PDK1 Q15118 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 3/20 0.45
ELANE P08246 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 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
SCHEMBL2125225 0.83 PDE10A (1.00) PDE10AMBNL1PDK1ALDH1A1MEN1
SCHEMBL27610987 0.81 PDE10A (0.96) PDE10AMBNL1PDK1ALDH1A1MEN1
SCHEMBL30999690 0.81 PDE10A (0.96) PDE10AMBNL1PDK1ALDH1A1MEN1
SCHEMBL6858227 0.81 PDE10A (0.96) PDE10AMBNL1PDK1ALDH1A1MEN1
SCHEMBL29796545 0.81 CYP2A6 (0.55) PDE10ACYP2A6RAD51LCKCYP11B1
SCHEMBL17942777 0.81 CYP2A6 (0.55) PDE10ACYP2A6RAD51LCKCYP11B1
SCHEMBL4260071 0.80 PDGFRB (0.55) PDE10ACYP2A6RAD51CYP11B1CYP19A1
SCHEMBL2598835 0.80 CYP2A6 (0.51) PDE10ACYP2A6RAD51LCKCYP11B1
SCHEMBL2598827 0.80 CYP2A6 (0.51) PDE10ACYP2A6RAD51LCKNPY5R
SCHEMBL14341086 0.80 PDE10A (0.93) PDE10AMBNL1PDK1ALDH1A1MEN1

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-2231663-A2 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AS C-MET INHIBITORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009091374-A2 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2009-07-23 WO disclosed