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Sugi Predict / Compounds / SCHEMBL4044844

SCHEMBL4044844

SCHEMBL4044844

CCCCN(C(=O)c1ccncc1)c1ccc(C)c(Nc2cc(CN(C)CCO)nn2-c2cc(NC)ncn2)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.35
▸ MLYCD O95822 1/20 0.32
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL4044843 0.80 MAPK14 (0.43) MAPK14
SCHEMBL4044845 0.78 LCK (0.36) MAPK14
SCHEMBL4038568 0.77 PDE10A (0.34) PDE10AMLYCDMAPK14
SCHEMBL3590882 0.75 MAPK14 (0.42) MAPK14
SCHEMBL3591365 0.73 RAF1 (0.46) —
SCHEMBL4039605 0.72 MAPK14 (0.43) MAPK14
SCHEMBL3591882 0.71 BRAF (0.51) —
SCHEMBL3585793 0.68 LCK (0.38) MAPK14
SCHEMBL4210107 0.68 LCK (0.41) —
SCHEMBL3589191 0.67 LCK (0.45) —

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
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 — — EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 — — WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 — — EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 — — WO disclosed