SCHEMBL28503607

SCHEMBL28503607

COC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(OC)c4)cc23)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.54
IL2 P60568 4/20 0.54
NEK1 Q96PY6 5/20 0.49
MAP3K11 Q16584 3/20 0.49
SGK1 O00141 1/20 0.49
CAMKK2 Q96RR4 1/20 0.49
AXL P30530 1/20 0.47
KIT P10721 2/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL28504703 0.94 MAP4K1 (0.54) MAP4K1IL2MAP3K11SGK1CAMKK2
SCHEMBL21592886 0.91 TNIK (0.54) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592637 0.83 MAP4K1 (0.59) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL28511448 0.81 MAP4K1 (0.63) MAP4K1IL2NEK1MAP3K11SGK1
SCHEMBL21592687 0.80 KIT (0.62) MAP4K1IL2MAP3K11KIT
SCHEMBL21592829 0.80 MAP4K1 (0.56) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592915 0.79 MAP4K1 (0.54) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592726 0.78 MAP4K1 (0.65) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592692 0.78 MAP4K1 (0.53) MAP4K1IL2MAP3K11KIT
SCHEMBL21592870 0.77 MAP4K1 (0.59) MAP4K1IL2KITDYRK1A

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed