SCHEMBL20634877

SCHEMBL20634877

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(C5=CCC(C)(C(N)=O)C=C5)c4c3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 6/20 0.53
TNIK Q9UKE5 1/20 0.42
IGF1R P08069 1/20 0.40
SGK1 O00141 3/20 0.39
CAMKK2 Q96RR4 1/20 0.39
KIT P10721 1/20 0.39
HDAC4 P56524 1/20 0.39
CFTR P13569 1/20 0.39
MAP4K1 Q92918 1/20 0.39
CRBN Q96SW2 1/20 0.39
NTRK1 P04629 1/20 0.39
DYRK2 Q92630 2/20 0.39
MAPK1 P28482 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 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
SCHEMBL723236 0.83 MAP3K11 (0.77) MAP3K11TNIKIGF1RSGK1CAMKK2
SCHEMBL720872 0.77 MAP3K11 (0.78) MAP3K11TNIKSGK1CAMKK2CRBN
SCHEMBL18129614 0.73 MAP3K11 (0.50) MAP3K11TNIKSGK1CAMKK2KIT
SCHEMBL721847 0.70 MAP3K11 (1.00) MAP3K11TNIKIGF1RSGK1CAMKK2
SCHEMBL18129789 0.70 SGK1 (0.53) MAP3K11SGK1CAMKK2
SCHEMBL18129726 0.69 SGK1 (0.55) MAP3K11SGK1CAMKK2
SCHEMBL7508493 0.69 MAP3K11 (0.83) MAP3K11TNIKSGK1CAMKK2NTRK1
SCHEMBL721581 0.68 MAP3K11 (0.85) MAP3K11TNIKSGK1CAMKK2NTRK1
SCHEMBL8252454 0.68 KMT2A (0.72) HDAC4CRBNMAPK1
SCHEMBL31694698 0.67 MAP4K1 (0.54) MAP3K11SGK1MAP4K1MAPK1

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-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed