SCHEMBL14404100

SCHEMBL14404100

COC(=O)CCn1cc(-c2cc(-c3cc4ccccc4s3)c3c(cnn3COCCSC)c2)c2nc(/N=C/N(C)C)ncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 11/20 0.42
▸ PLK4 O00444 3/20 0.39
▸ MAPK13 O15264 3/20 0.39
▸ PDPK1 O15530 3/20 0.39
▸ DAPK3 O43293 3/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ CHEK2 O96017 3/20 0.39
▸ PRKCG P05129 3/20 0.39
▸ CDK1 P06493 3/20 0.39
▸ PRKACA P17612 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ MARK3 P27448 3/20 0.39
▸ AKT2 P31751 3/20 0.39
▸ FLT4 P35916 3/20 0.39
▸ CSNK1D P48730 3/20 0.39
▸ GSK3A P49840 3/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ RPS6KA3 P51812 3/20 0.39
▸ LIMK1 P53667 3/20 0.39
▸ MAPK12 P53778 3/20 0.39

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
SCHEMBL759864 0.92 MAPKAPK2 (0.42) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL759863 0.92 MAPKAPK2 (0.42) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL759991 0.82 MAPKAPK2 (0.38) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL759992 0.82 MAPKAPK2 (0.38) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL757585 0.81 MAPKAPK2 (0.39) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL757586 0.81 MAPKAPK2 (0.39) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL757768 0.78 MAPKAPK2 (0.45) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL757767 0.78 MAPKAPK2 (0.45) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL761246 0.78 MAPKAPK2 (0.41) MAPKAPK2PLK4MAPK13PDPK1DAPK3
SCHEMBL761245 0.78 MAPKAPK2 (0.41) MAPKAPK2PLK4MAPK13PDPK1DAPK3

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-2007117465-A2 INDAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2007-10-18 — — WO disclosed
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