SCHEMBL21592897

SCHEMBL21592897

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.50
CAMKK2 Q96RR4 4/20 0.46
SGK1 O00141 3/20 0.46
MAP3K11 Q16584 6/20 0.46
AXL P30530 3/20 0.45
TNIK Q9UKE5 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL21592850 0.93 MAP4K1 (0.58) MAP4K1CAMKK2SGK1MAP3K11TNIK
SCHEMBL21592825 0.90 MAP4K1 (0.60) MAP4K1CAMKK2SGK1MAP3K11AXL
SCHEMBL21593042 0.90 MAP4K1 (0.59) MAP4K1CAMKK2SGK1MAP3K11AXL
SCHEMBL21592940 0.89 MAP4K1 (0.61) MAP4K1CAMKK2SGK1MAP3K11AXL
SCHEMBL21592877 0.87 MAP4K1 (0.57) MAP4K1MAP3K11TNIK
SCHEMBL21592828 0.84 MAP4K1 (0.55) MAP4K1CAMKK2SGK1MAP3K11TNIK
SCHEMBL28502217 0.84 MAP4K1 (0.59) MAP4K1CAMKK2SGK1MAP3K11TNIK
SCHEMBL21592647 0.83 MAP4K1 (0.62) MAP4K1CAMKK2SGK1MAP3K11AXL
SCHEMBL21592633 0.83 MAP4K1 (0.68) MAP4K1MAP3K11TNIKPIK3CG
SCHEMBL21592845 0.83 MAP4K1 (0.68) MAP4K1MAP3K11TNIKPIK3CG

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