SCHEMBL789573

SCHEMBL789573

NC(=O)c1cc(-c2cc3cc(Cl)ccc3nc2N)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
MAPK1 P28482 1/20 0.40
FRK P42685 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL11548569 0.78 IKBKB (0.63) CDC7PLK4MAPK13DAPK3DYRK3
SCHEMBL30564933 0.76 ALDH1A1 (0.56) CDC7PLK4MAPK13DAPK3DYRK3
SCHEMBL910922 0.76 ALDH1A1 (0.56) CDC7PLK4MAPK13DAPK3DYRK3
SCHEMBL807329 0.72 SCN10A (0.48) CHEK2PRNPMAP4K4MEN1KMT2A
SCHEMBL18227141 0.72 BACE1 (0.46) PRNPGRM2MAP4K4MEN1KMT2A
SCHEMBL790083 0.71 PTGS2 (0.51) IKBKBCHUKMEN1KMT2A
SCHEMBL790264 0.69 PRNP (0.53) MAPTIKBKBPRNPCASP1DHODH
SCHEMBL790542 0.69 SRC (0.49) CHEK2MAPTCASP1MEN1KMT2A
SCHEMBL807327 0.69 HPGD (0.53) GRM2CNR1ALDH1A1
SCHEMBL15928349 0.69 ALOX5AP (0.43) MKNK2IKBKBCHUK

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed