SCHEMBL21592934

SCHEMBL21592934

COc1cc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(C)c4)cc23)ccc1C(=O)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.58
IL2 P60568 6/20 0.58
TNIK Q9UKE5 1/20 0.51
KIT P10721 4/20 0.50
DYRK1A Q13627 1/20 0.50
PIK3CG P48736 1/20 0.49
CAMKK2 Q96RR4 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
SCHEMBL21592937 0.92 MAP4K1 (0.56) MAP4K1IL2TNIKKITCAMKK2
SCHEMBL21592622 0.92 MAP4K1 (0.59) MAP4K1IL2TNIKPIK3CGCAMKK2
SCHEMBL21592893 0.87 MAP4K1 (0.57) MAP4K1TNIKCAMKK2
SCHEMBL21592631 0.87 MAP4K1 (0.57) MAP4K1IL2TNIKPIK3CGCAMKK2
SCHEMBL21592757 0.87 MAP4K1 (0.54) MAP4K1IL2TNIKPIK3CGCAMKK2
SCHEMBL21593056 0.87 MAP4K1 (0.58) MAP4K1IL2TNIKPIK3CGCAMKK2
SCHEMBL21592647 0.86 MAP4K1 (0.62) MAP4K1IL2TNIKCAMKK2
SCHEMBL21592637 0.85 MAP4K1 (0.59) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592870 0.85 MAP4K1 (0.59) MAP4K1IL2TNIKKITDYRK1A
SCHEMBL21592889 0.85 MAP4K1 (0.57) MAP4K1IL2TNIKDYRK1ACAMKK2

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