SCHEMBL21592884

SCHEMBL21592884

Cc1cc(-c2c[nH]c3ncc(-c4ccc([C@H]5CCCN(C)C5)c(C)c4)cc23)ccc1C(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.49
CAMKK2 Q96RR4 8/20 0.49
SGK1 O00141 1/20 0.49
AURKA O14965 1/20 0.49
CAMKK1 Q8N5S9 1/20 0.49
SGK3 Q96BR1 1/20 0.49
SGK2 Q9HBY8 1/20 0.49
MAP4K1 Q92918 8/20 0.48
PIK3CG P48736 2/20 0.44
IL2 P60568 1/20 0.42
MAP3K11 Q16584 1/20 0.42

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
SCHEMBL21592888 1.00 TNIK (0.49) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21593026 0.93 MAP4K1 (0.54) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21593003 0.93 MAP4K1 (0.54) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21593007 0.93 MAP4K1 (0.54) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21592946 0.84 MAP4K1 (0.67) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21592968 0.84 MAP4K1 (0.67) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL28499905 0.84 MAP4K1 (0.67) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21592943 0.84 MAP4K1 (0.67) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL21592967 0.84 MAP4K1 (0.67) TNIKCAMKK2SGK1AURKACAMKK1
SCHEMBL28501998 0.83 CAMKK2 (0.48) CAMKK2SGK1AURKACAMKK1SGK3

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