SCHEMBL22922565

SCHEMBL22922565

CCc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC5CCOC5)cc4)c3c2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.56
MAP3K11 Q16584 2/20 0.44
TNIK Q9UKE5 5/20 0.43
DYRK1B Q9Y463 1/20 0.42
PIK3CG P48736 5/20 0.41

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
SCHEMBL21593049 0.89 MAP4K1 (0.57) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL22922397 0.88 MAP4K1 (0.53) MAP4K1MAP3K11TNIKDYRK1B
SCHEMBL29869158 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL22922392 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL29869145 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL22922484 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL22922393 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL22922488 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL29869055 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG
SCHEMBL29869247 0.86 MAP4K1 (0.77) MAP4K1MAP3K11TNIKDYRK1BPIK3CG

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-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed