SCHEMBL8323614

SCHEMBL8323614

Oc1ccc(Br)cc1-c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.62
DYRK1A Q13627 9/20 0.51
CLK1 P49759 5/20 0.50
DYRK2 Q92630 5/20 0.50
DYRK1B Q9Y463 5/20 0.50
CDK2 P24941 2/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK9 P50750 1/20 0.50
CLK2 P49760 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
IGF1R P08069 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKCG P05129 1/20 0.44
INSR P06213 1/20 0.44

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
SCHEMBL8313417 0.85 CDK8 (0.73) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL13753932 0.84 CDK8 (0.58) CDK8DYRK1ACDK2CCNT1CCNA2
SCHEMBL8320362 0.82 CDK8 (0.77) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL13745364 0.82 CDK8 (0.56) CDK8DYRK1ACDK2CCNT1CCNA2
SCHEMBL1487549 0.81 CDK8 (0.67) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL8320115 0.81 CDK8 (0.84) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL8324861 0.77 CDK8 (0.85) CDK8DYRK1ACDK2CCNT1CCNA2
SCHEMBL13745464 0.77 CDK8 (1.00) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL1516669 0.77 CDK8 (0.76) CDK8DYRK1ACLK1DYRK2DYRK1B
SCHEMBL12763457 0.76 CDK8 (0.79) CDK8DYRK1ACLK1DYRK2DYRK1B

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-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed