SCHEMBL8445006

SCHEMBL8445006

Cn1cc(-c2cn[nH]c2)c2cc(Cc3ccccc3)cnc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.45
CHUK O15111 3/20 0.43
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GRK2 P25098 3/20 0.40
GRK1 Q15835 2/20 0.38
GRK5 P34947 1/20 0.38
ROCK2 O75116 10/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
ROCK1 Q13464 2/20 0.37

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
SCHEMBL8443783 0.81 BCL2L1 (0.41) BCL2L1CHUKCLK1CLK2HIPK1
SCHEMBL8488240 0.77 CHUK (0.48) CHUK
SCHEMBL8480944 0.76 PDK1 (0.47) CHUK
SCHEMBL8443816 0.76 MAPK8 (0.52) BCL2L1CLK2HIPK2CLK4ROCK2
SCHEMBL8443752 0.75 ACVR1 (0.48) CHUKCLK2HIPK1HIPK2CLK4
SCHEMBL8445036 0.71 MAPK8 (0.39) CHUKCLK1CLK2HIPK1HIPK2
SCHEMBL8443803 0.70 CHUK (0.39) CHUK
SCHEMBL30248664 0.70 IMPDH2 (0.51) CHUKGRK2AKT1AKT2
SCHEMBL8480893 0.70 BRD4 (0.38) CHUKCLK1CLK2HIPK1HIPK2
SCHEMBL13505521 0.70 BRD4 (0.42)

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-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP disclosed