SCHEMBL21592870

SCHEMBL21592870

COc1cc(-c2cnc3[nH]cc(-c4ccnc(C(=O)N(C)C)c4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.59
IL2 P60568 7/20 0.59
TNIK Q9UKE5 1/20 0.52
KIT P10721 4/20 0.51
DYRK1A Q13627 1/20 0.51
PIK3CA P42336 1/20 0.49
SLC2A1 P11166 1/20 0.49
ABL1 P00519 1/20 0.47

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
SCHEMBL21592637 0.89 MAP4K1 (0.59) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592934 0.85 MAP4K1 (0.58) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592886 0.83 TNIK (0.54) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592942 0.82 MAP4K1 (0.54) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592915 0.82 MAP4K1 (0.54) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592804 0.81 MAP4K1 (0.55) MAP4K1IL2TNIKABL1
SCHEMBL21592682 0.80 MAP4K1 (0.60) MAP4K1IL2TNIKABL1
SCHEMBL21592763 0.80 MAP4K1 (0.55) MAP4K1IL2TNIKABL1
SCHEMBL21592622 0.79 MAP4K1 (0.59) MAP4K1IL2TNIKABL1
SCHEMBL28513753 0.79 MAP4K1 (0.62) MAP4K1IL2KITDYRK1ASLC2A1

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