SCHEMBL2448848

SCHEMBL2448848

COc1ccccc1CN=C(N)Nc1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK9 P50750 1/20 0.53
CDK5 Q00535 1/20 0.53
DYRK1A Q13627 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
GRIN2B Q13224 3/20 0.44
GRIN1 Q05586 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR7 P34969 1/20 0.43
NR3C2 P08235 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL2382866 0.82 CLK2 (0.39) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2447104 0.79 NPC1 (0.61) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2782907 0.75 CLK2 (0.53) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL17499765 0.75 GRIN2B (0.42) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2380033 0.75 CLK2 (0.48) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2448847 0.75 POLB (0.46) SMN1; SMN2GAANPC1HTTRAB9A
SCHEMBL2779616 0.74 CLK2 (0.54) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL1848615 0.74 HSD17B10 (0.58) CLK4LMNASMN1; SMN2KDM4EGAA
SCHEMBL2782306 0.73 GRIN2B (0.54) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2781682 0.73 CLK2 (0.50) CLK2GSK3AGSK3BCDK9CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed