SCHEMBL16686010

SCHEMBL16686010

COc1[c]cccc1-c1ccnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
PIM1 P11309 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
NFATC1 O95644 1/20 0.37
PDK2 Q15119 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
POLQ O75417 1/20 0.36
WNT3A P56704 1/20 0.35
ROCK2 O75116 2/20 0.35
CDC7 O00311 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL16720197 0.79 SMN1; SMN2 (0.38) DYRK1ADYRK1BCLK4
SCHEMBL4276321 0.78 PDE10A (0.43) PDK2POLQMKNK2TDO2
SCHEMBL9180615 0.76 ACHE (0.40) DYRK1APIM1DYRK1BCDK8MAP4K4
SCHEMBL11919644 0.74 WNT3A (0.54) DYRK1APIM1DYRK2DYRK1BS1PR1
SCHEMBL7453756 0.74 CLK4 (0.40) DYRK1ABRD4CLK4
SCHEMBL9151380 0.74 ACHE (0.35)
SCHEMBL3535486 0.73 ALDH1A1 (0.39)
SCHEMBL6844999 0.73 DYRK1A (0.51) DYRK1APIM1DYRK2DYRK1B
SCHEMBL5779607 0.73 CYP1A1 (0.45) DYRK1ABRD4CLK4TDO2
SCHEMBL9330420 0.72 ABL1 (0.53) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed