SCHEMBL28511448

SCHEMBL28511448

COC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(C)c4)cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.63
CAMKK2 Q96RR4 2/20 0.62
SGK1 O00141 2/20 0.62
NEK1 Q96PY6 5/20 0.56
MAP3K11 Q16584 5/20 0.54
IL2 P60568 3/20 0.53
AXL P30530 1/20 0.52
TNIK Q9UKE5 1/20 0.48

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
SCHEMBL28502252 0.91 MAP4K1 (0.65) MAP4K1CAMKK2SGK1MAP3K11IL2
SCHEMBL28499799 0.90 SGK1 (0.63) MAP4K1CAMKK2SGK1NEK1MAP3K11
SCHEMBL21592647 0.88 MAP4K1 (0.62) MAP4K1CAMKK2SGK1MAP3K11IL2
SCHEMBL28511277 0.87 MAP4K1 (0.69) MAP4K1CAMKK2SGK1NEK1MAP3K11
SCHEMBL21592600 0.87 MAP3K11 (0.66) MAP4K1MAP3K11IL2TNIK
SCHEMBL21593022 0.87 MAP4K1 (0.61) MAP4K1CAMKK2SGK1MAP3K11IL2
SCHEMBL21592762 0.85 MAP4K1 (0.64) MAP4K1CAMKK2SGK1MAP3K11IL2
SCHEMBL21593034 0.85 MAP4K1 (0.61) MAP4K1CAMKK2SGK1MAP3K11IL2
SCHEMBL21592565 0.85 MAP4K1 (0.59) MAP4K1MAP3K11IL2TNIK
SCHEMBL28502217 0.85 MAP4K1 (0.59) MAP4K1CAMKK2SGK1MAP3K11IL2

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