SCHEMBL28587387

SCHEMBL28587387

O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccc5c(c4)CNCC5)cc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.79
AXL P30530 7/20 0.64
CAMKK2 Q96RR4 6/20 0.64
SGK1 O00141 3/20 0.64
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
PAK4 O96013 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
INSR P06213 1/20 0.51

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
SCHEMBL28591930 0.88 MAP4K1 (1.00) MAP4K1AXLCAMKK2SGK1ABL1
SCHEMBL28597600 0.84 MAP4K1 (0.93) MAP4K1AXLCAMKK2SGK1ABL1
SCHEMBL3768633 0.82 AXL (0.92) AXLCAMKK2SGK1CDC7PLK4
SCHEMBL28587404 0.82 AXL (0.62) MAP4K1AXLCAMKK2SGK1MAP3K11
SCHEMBL3765725 0.80 MAP4K1 (0.63) MAP4K1AXLSGK1NTRK1DYRK1A
SCHEMBL3774587 0.79 AXL (1.00) AXLCAMKK2SGK1CDC7PLK4
SCHEMBL28591933 0.78 MAP4K1 (0.63) MAP4K1AXLCAMKK2SGK1CDC7
SCHEMBL3763777 0.78 AXL (0.76) AXLCAMKK2SGK1CDC7PLK4
SCHEMBL3761935 0.78 CLK1 (0.65) MAP4K1NTRK1DYRK1A
SCHEMBL3767866 0.78 PIK3CA (0.65) MAP4K1SGK1NTRK1NEK1

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
CN-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed