SCHEMBL16331965

SCHEMBL16331965

CC(C)Oc1cccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.73
DYRK1A Q13627 10/20 0.67
DYRK2 Q92630 10/20 0.67
DYRK1B Q9Y463 10/20 0.67
DYRK3 O43781 9/20 0.67
CDK5 Q00535 6/20 0.67
CDK5R1 Q15078 6/20 0.67
CCNT1 O60563 5/20 0.67
CDK9 P50750 5/20 0.67
CCNA2 P20248 5/20 0.67
CDK2 P24941 5/20 0.67

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
SCHEMBL2951225 0.87 FYN (0.69) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2951228 0.87 FYN (0.69) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2946453 0.85 FYN (0.79) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2947495 0.85 FYN (0.77) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL20485745 0.85 FYN (1.00) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2947491 0.85 FYN (0.77) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL20485748 0.85 FYN (1.00) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2946043 0.84 FYN (0.79) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2941590 0.83 FYN (0.75) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL2942563 0.83 FYN (0.74) FYNDYRK1ADYRK2DYRK1BDYRK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US claimed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP claimed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed