SCHEMBL28906202

SCHEMBL28906202

Cc1c(C(N)=O)ccc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C)CC5)c(C(F)(F)F)c4)cc23)c1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 9/20 0.54
PIK3CG P48736 5/20 0.47
IL2 P60568 1/20 0.45
MAP4K1 Q92918 1/20 0.45
MAP3K11 Q16584 3/20 0.44
SGK1 O00141 1/20 0.42
AURKA O14965 1/20 0.42
CAMKK1 Q8N5S9 1/20 0.42
SGK3 Q96BR1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
MAP3K12 Q12852 2/20 0.42
DLK1 P80370 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
SCHEMBL28508666 0.90 CAMKK2 (0.49) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL28508656 0.86 MAP3K11 (0.47) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL28510111 0.82 MAP4K1 (0.55) CAMKK2IL2MAP4K1MAP3K11SGK1
SCHEMBL28501998 0.81 CAMKK2 (0.48) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL28597669 0.81 PAK1 (0.58) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL21592905 0.80 MAP4K1 (0.57) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL28596016 0.80 MAP4K1 (0.52) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL28514859 0.80 CAMKK2 (0.50) CAMKK2PIK3CGMAP3K11SGK1AURKA
SCHEMBL28605051 0.80 PAK1 (0.58) CAMKK2PIK3CGIL2MAP4K1MAP3K11
SCHEMBL28513743 0.79 MAP4K1 (0.60) CAMKK2IL2MAP4K1MAP3K11

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