SCHEMBL6039638

SCHEMBL6039638

N#Cc1cccc2c(I)c[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.66
▸ GSK3B P49841 2/20 0.50
▸ NFATC1 O95644 1/20 0.47
▸ SLC6A4 P31645 1/20 0.45
▸ IMPDH2 P12268 1/20 0.43
▸ IMPDH1 P20839 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MCL1 Q07820 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.34
▸ PNMT P11086 1/20 0.34
▸ PTGES O14684 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33

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
SCHEMBL19117524 0.78 DYRK1A (0.51) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL31049259 0.78 DYRK1A (0.51) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL25217179 0.78 DYRK1A (0.64) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL28875569 0.78 DYRK1A (0.51) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL29314342 0.78 DYRK1A (0.59) DYRK1AGSK3BSLC6A4IMPDH2
SCHEMBL24329052 0.77 DYRK1A (0.51) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL24096861 0.75 DYRK1A (0.49) DYRK1AGSK3BIMPDH2IMPDH1LRRK2
SCHEMBL1420660 0.74 TRIM24 (0.58) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL31302760 0.73 DYRK1A (0.46) DYRK1AGSK3BNFATC1SLC6A4IMPDH2
SCHEMBL21754248 0.72 DYRK1A (0.44) DYRK1AIMPDH2IMPDH1CA1CA2

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-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 — — WO disclosed
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