SCHEMBL3393635

SCHEMBL3393635

Brc1cccc(C=Cc2ccc3c(c2)CCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.51
DYRK1B Q9Y463 5/20 0.51
DYRK2 Q92630 3/20 0.51
METAP2 P50579 1/20 0.49
CLK1 P49759 3/20 0.45
ATM Q13315 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PIK3CA P42336 1/20 0.44
GPR183 P32249 1/20 0.43
HSD17B3 P37058 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
KCNH2 Q12809 2/20 0.40
CYP19A1 P11511 1/20 0.40
HSD11B1 P28845 1/20 0.40
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17821837 0.79 DYRK1A (0.54) DYRK1ADYRK1BDYRK2CLK1PIK3CA
SCHEMBL17821835 0.79 DYRK1A (0.54) DYRK1ADYRK1BDYRK2CLK1PIK3CA
SCHEMBL14421965 0.77 DYRK1A (0.49) DYRK1ADYRK1BDYRK2CLK1PIK3CA
SCHEMBL30640621 0.76 DYRK1A (0.54) DYRK1ADYRK1BDYRK2PRKCI
SCHEMBL8187712 0.76 DYRK1A (0.54) DYRK1ADYRK1BDYRK2PRKCI
SCHEMBL155111 0.76 MAPT (0.53) DYRK1ADYRK1BDYRK2GPR183PRKCI
SCHEMBL29584634 0.76 MAPT (0.53) DYRK1ADYRK1BDYRK2GPR183PRKCI
SCHEMBL15965547 0.76 DYRK1A (0.54) DYRK1ADYRK1BDYRK2CLK1PIK3CA
SCHEMBL11981321 0.76 CYP3A4 (0.56) DYRK1ADYRK1BDYRK2CLK1ATM
SCHEMBL7839082 0.75 MAPT (0.52) DYRK1ADYRK1BDYRK2GPR183PRKCI

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed