SCHEMBL2776896

SCHEMBL2776896

CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
PRKX P51817 1/20 0.40
NEK2 P51955 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TSHR P16473 1/20 0.39
CYP19A1 P11511 6/20 0.38
CNR1 P21554 6/20 0.38

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
SCHEMBL2893208 1.00 CHEK1 (0.40) CHEK1PRKD3MAP4K4RETMET
SCHEMBL30543304 1.00 CHEK1 (0.40) CHEK1PRKD3MAP4K4RETMET
SCHEMBL30569606 1.00 CHEK1 (0.40) CHEK1PRKD3MAP4K4RETMET
SCHEMBL30569604 1.00 CHEK1 (0.40) CHEK1PRKD3MAP4K4RETMET
SCHEMBL22228373 0.93 CHEK1 (0.41) CHEK1PRKD3MAP4K4RETMET
SCHEMBL2804322 0.92 PDK2 (0.43) CHEK1PRKD3MAP4K4RETMET
SCHEMBL30435035 0.92 PDK2 (0.43) CHEK1PRKD3MAP4K4RETMET
SCHEMBL27789288 0.92 PDK2 (0.43) CHEK1PRKD3MAP4K4RETMET
SCHEMBL28097916 0.91 CHEK1 (0.35) CHEK1PRKD3MAP4K4RETMET
SCHEMBL992489 0.91 CHEK1 (0.35) CHEK1PRKD3MAP4K4RETMET

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
WO-2013023285-A1 AZOMETHINE COMPOUNDS VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2013-02-21 WO disclosed
WO-2010111822-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
WO-2010111822-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
WO-2010112452-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
WO-2010112452-A1 OLIGOCONDENSED PERYLENE BISIMIDES BASF SE (DE) 2010-10-07 WO disclosed
CN-101109873-A Liquid crystal aligning agent,liquid crystal aligning film and liquid crystal display device JSR CORP (JP) 2008-01-23 CN disclosed