SCHEMBL21592984

SCHEMBL21592984

Cc1cc(-c2cnc3[nH]cc(-c4ccc(OCCC(=O)N(C)C)cc4)c3c2)cc(C)c1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.68
MAP3K11 Q16584 2/20 0.43
TNIK Q9UKE5 4/20 0.42
IL2 P60568 4/20 0.41
PIK3CG P48736 4/20 0.40

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
SCHEMBL21592695 0.93 MAP4K1 (0.56) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592944 0.87 MAP4K1 (0.52) MAP4K1
SCHEMBL21592926 0.86 MAP4K1 (0.78) MAP4K1MAP3K11TNIKIL2PIK3CG
SCHEMBL21592809 0.85 MAP4K1 (0.57) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592516 0.82 MAP4K1 (0.59) MAP4K1MAP3K11TNIKIL2
SCHEMBL21592717 0.82 MAP4K1 (0.72) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL21592739 0.81 MAP4K1 (1.00) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL31344455 0.80 MAP4K1 (0.68) MAP4K1TNIKIL2PIK3CG
SCHEMBL21592812 0.80 MAP4K1 (0.81) MAP4K1MAP3K11TNIKIL2PIK3CG
SCHEMBL28829874 0.80 MAP4K1 (0.67) MAP4K1TNIKIL2PIK3CG

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed