SCHEMBL4260071

SCHEMBL4260071

COc1cc2ccccc2nc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
CYP2A6 P11509 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
TLR8 Q9NR97 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAD51 Q06609 2/20 0.46
PDE10A Q9Y233 2/20 0.46
NPC1 O15118 2/20 0.46
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
PDE7A Q13946 1/20 0.46
PDE3A Q14432 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31529366 0.84 L3MBTL1 (0.61) PDGFRBPDGFRAALDH1A1HPGDTLR8
SCHEMBL10641295 0.84 L3MBTL1 (0.61) PDGFRBPDGFRAALDH1A1HPGDTLR8
SCHEMBL3896885 0.83 PDGFRB (0.50) PDGFRBPDGFRAPDE10A
SCHEMBL9590284 0.81 TLR8 (0.67) PDGFRBPDGFRAALDH1A1HPGDTLR8
Hydrochloric Acid SCHEMBL9847504 0.80 L3MBTL1 (0.60) PDGFRBPDGFRAALDH1A1HPGDTLR8
SCHEMBL3722967 0.80 PDE10A (0.70) CYP2A6ALDH1A1HPGDMEN1MAPT
SCHEMBL4260073 0.78 ALDH1A1 (0.73) CYP2A6ALDH1A1HPGDMEN1GAA
SCHEMBL17942777 0.77 CYP2A6 (0.55) CYP2A6ALDH1A1HPGDMEN1MAPT
SCHEMBL4506402 0.77 CYP11B1 (0.60) PDGFRBPDGFRAMAPTPDE10ANPC1
SCHEMBL15958620 0.77 ALDH1A1 (0.51) PDGFRBPDGFRACYP2A6ALDH1A1HPGD

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-2081931-A2 FUSED HETEROCYCLIC DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR Amgen Inc. (US) 2009-07-29 EP disclosed
WO-2008008539-A2 FUSED HETEROCYCLIC DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR AMGEN INC. (US) 2008-01-17 WO disclosed