SCHEMBL28499799

SCHEMBL28499799

COC(=O)c1ccc(-c2c[nH]c3ncc(-c4cc(C)c(N5CCN(C)CC5)c(C)c4)cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.63
CAMKK2 Q96RR4 2/20 0.63
MAP4K1 Q92918 6/20 0.62
MAP3K11 Q16584 4/20 0.55
NEK1 Q96PY6 5/20 0.55
IL2 P60568 3/20 0.54
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
SCHEMBL28517288 0.91 AXL (0.66) SGK1CAMKK2MAP4K1MAP3K11NEK1
SCHEMBL28517248 0.91 MAP4K1 (0.64) SGK1CAMKK2MAP4K1MAP3K11IL2
SCHEMBL28511448 0.90 MAP4K1 (0.63) SGK1CAMKK2MAP4K1MAP3K11NEK1
SCHEMBL21592774 0.89 MAP4K1 (0.71) SGK1CAMKK2MAP4K1MAP3K11IL2
SCHEMBL21592566 0.88 MAP4K1 (0.65) SGK1CAMKK2MAP4K1MAP3K11IL2
SCHEMBL28511277 0.88 MAP4K1 (0.69) SGK1CAMKK2MAP4K1MAP3K11NEK1
SCHEMBL21592744 0.86 MAP4K1 (0.66) SGK1CAMKK2MAP4K1MAP3K11IL2
SCHEMBL21592716 0.86 MAP4K1 (0.72) SGK1CAMKK2MAP4K1MAP3K11IL2
SCHEMBL21592684 0.86 MAP4K1 (0.69) SGK1CAMKK2MAP4K1MAP3K11IL2
SCHEMBL21592741 0.86 MAP4K1 (0.61) SGK1CAMKK2MAP4K1MAP3K11IL2

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