SCHEMBL21402158

SCHEMBL21402158

CCN(CC)CCCC(C)Nc1ncc2cc(-c3cc(=O)[nH]cc3C)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.42
SLC2A1 P11166 1/20 0.42
RPS6KB1 P23443 2/20 0.41
CACNA2D1 P54289 4/20 0.41
MAPT P10636 1/20 0.39
RAC1 P63000 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL5502127 1.00 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT
SCHEMBL14569087 1.00 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT
SCHEMBL5501587 0.85 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT
SCHEMBL21402145 0.83 CCR4 (0.43) CCR4SLC2A1CACNA2D1MAPTRAC1
SCHEMBL14569086 0.83 CCR4 (0.43) CCR4SLC2A1CACNA2D1MAPTRAC1
SCHEMBL5503974 0.83 CCR4 (0.43) CCR4SLC2A1CACNA2D1MAPTRAC1
SCHEMBL5503962 0.82 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT
SCHEMBL14569085 0.82 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT
SCHEMBL5502290 0.82 CCR4 (0.42) CCR4SLC2A1RPS6KB1CACNA2D1MAPT
SCHEMBL5498963 0.81 BRAF (0.46) CCR4SLC2A1RPS6KB1CACNA2D1MAPT

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed