SCHEMBL5866727

SCHEMBL5866727

Nc1ccc2c(cnn2C[C@@H]2CCCN2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 1/20 0.51
PRKCZ Q05513 1/20 0.40
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LIMK1 P53667 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MERTK Q12866 3/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 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
SCHEMBL20325546 0.80 HDAC1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL27083872 0.79 HDAC1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15712764 0.79 PKM (0.48) CHEK1AURKADAPK3CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL27204419 0.76 HTR2A (0.46) KCNH2MCHR1MERTKCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27165375 0.76 HTR2A (0.46) KCNH2MCHR1MERTKCHRNB2CHRNA4
SCHEMBL3537839 0.74 DDB1 (0.41) KCNH2MCHR1MERTKPIK3CDABL1
SCHEMBL31251090 0.74 HDAC2 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL27165372 0.73 HTR2A (0.50) KCNH2MCHR1MERTKKDRCHRNB2
Hydrochloric Acid SCHEMBL27165645 0.73 HTR2A (0.50) KCNH2MCHR1MERTKKDRCHRNB2
SCHEMBL13970470 0.71 MCHR1 (0.64) KCNH2MCHR1

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
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed