SCHEMBL9543679

SCHEMBL9543679

N#Cc1sc2ncccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
CDC7 O00311 1/20 0.37
CLK1 P49759 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ELANE P08246 1/20 0.37
LRRK2 Q5S007 1/20 0.37
TP53 P04637 4/20 0.36
KCNMA1 Q12791 1/20 0.35
HSP90AA1 P07900 4/20 0.34
HTT P42858 3/20 0.34

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
SCHEMBL11334745 0.98 LIMK1 (0.40) LIMK1IKBKBCHUKCDC7CLK1
SCHEMBL11342391 0.81 LIMK1 (0.38) LIMK1IKBKBCHUKCDC7CLK1
SCHEMBL14784590 0.79 KDM4E (0.55) LIMK1IKBKBCHUKCDC7CLK1
SCHEMBL13949895 0.73 KDM4E (0.44) LIMK1KDM4EALDH1A1KMT2AMAPT
SCHEMBL27388336 0.73 LIMK1 (0.44) LIMK1IKBKBCHUKCDC7CLK1
SCHEMBL4120716 0.72 KDM4E (0.47) LIMK1IKBKBCHUKKDM4EALDH1A1
SCHEMBL11085972 0.71 MAPT (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4903332 0.70 LIMK1 (0.50) LIMK1IKBKBCHUKCDC7CLK1
SCHEMBL23099071 0.69 LIMK1 (0.37) LIMK1IKBKBCHUKCDC7CLK1
SCHEMBL9539962 0.69 KDM4E (0.57) LIMK1IKBKBCHUKKDM4EALDH1A1

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
CN-1076697-A BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LTD (GB) 1993-09-29 CN disclosed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed
US-4220776-A TREATMENT OF RHINOVIRAL INFECTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-02 US disclosed
EP-0004319-A1 N-(pyridothienopyrazol) amides, process for their preparation and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-10-03 EP disclosed