SCHEMBL6002844

SCHEMBL6002844

Fc1cccc(-c2c[nH][c]n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
BCAT1 P54687 1/20 0.33
IDO1 P14902 1/20 0.33
LRRK2 Q5S007 1/20 0.32
WDR5 P61964 1/20 0.32
GRK6 P43250 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPK1 P28482 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32
CLK2 P49760 1/20 0.32
LIMK1 P53667 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32

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
SCHEMBL4045966 0.85 IDO1 (0.46) CDK2CCNE2CCNE1IDO1
SCHEMBL4044388 0.71 TGFBR1 (0.33) IDO1LRRK2SLC9A1PDE3BPDE3A
SCHEMBL6003439 0.71 IDO1 (0.49) IDO1MAPK1PDE3ACNR2
SCHEMBL4044625 0.71 ALPL (0.42) PDE3BPDE3A
SCHEMBL4719196 0.71 KDM4E (0.41) MAPK1CDK5
SCHEMBL5388053 0.70 IDO1 (0.46) IDO1MAPK1
SCHEMBL1316478 0.70 IDO1 (0.47) CDK2CCNE2CCNE1IDO1HSD11B1
SCHEMBL4045894 0.70 HSD11B1 (0.41) HSD11B1CNR2
SCHEMBL2753611 0.69 BCAT1 (0.34) CDK2CCNE2CCNE1BCAT1IDO1
SCHEMBL27958628 0.69 CDK2 (0.39) CDK2CCNE2CCNE1BCAT1IDO1

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed