SCHEMBL12070545

SCHEMBL12070545

CN(C)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N)c4ccccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.76
NEK2 P51955 1/20 0.76
LIMK1 P53667 1/20 0.76
DYRK1A Q13627 1/20 0.76
CLK4 Q9HAZ1 1/20 0.76
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.54
INSR P06213 3/20 0.46
GLO1 Q04760 2/20 0.45
EP300 Q09472 3/20 0.44
KAT8 Q9H7Z6 3/20 0.44
KAT2B Q92831 2/20 0.44
SENP3 Q9H4L4 3/20 0.43
SENP2 Q9HC62 3/20 0.43

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
SCHEMBL12070546 1.00 CHEK1 (0.76) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29921971 0.87 CHEK1 (1.00) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL4078292 0.87 CHEK1 (1.00) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL8653147 0.83 TDP1 (0.80) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3694623 0.82 MEN1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5044740 0.82 MEN1 (0.64) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5044742 0.82 MEN1 (0.64) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL22299738 0.81 CHEK1 (0.61) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL17804072 0.79 KMT2A (0.54) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL14866951 0.79 KMT2A (0.64) CHEK1NEK2LIMK1DYRK1ACLK4

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-2011157614-A1 BLACK DICHROIC DYE BASF SE (DE) 2011-12-22 WO disclosed