SCHEMBL21592940

SCHEMBL21592940

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC(C)O)cc4)c3c2)ccc1N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.61
PIK3CG P48736 4/20 0.46
MAP3K11 Q16584 4/20 0.44
CAMKK2 Q96RR4 3/20 0.44
SGK1 O00141 3/20 0.44
AXL P30530 2/20 0.43
TNIK Q9UKE5 1/20 0.43

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
SCHEMBL21592845 0.94 MAP4K1 (0.68) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL21592634 0.94 MAP4K1 (0.68) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL21592633 0.94 MAP4K1 (0.68) MAP4K1PIK3CGMAP3K11TNIK
SCHEMBL21592897 0.89 MAP4K1 (0.50) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592825 0.88 MAP4K1 (0.60) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592899 0.88 MAP4K1 (0.61) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592936 0.88 MAP4K1 (0.61) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL28502163 0.88 MAP4K1 (0.61) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21593042 0.87 MAP4K1 (0.59) MAP4K1PIK3CGMAP3K11CAMKK2SGK1
SCHEMBL21592906 0.85 MAP4K1 (0.75) MAP4K1PIK3CGMAP3K11TNIK

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