SCHEMBL28508656

SCHEMBL28508656

Cc1c(C(N)=O)ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)c(C(F)(F)F)c4)cc23)c1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.47
CAMKK2 Q96RR4 1/20 0.46
WDR5 P61964 6/20 0.46
MAP4K1 Q92918 4/20 0.46
MTOR P42345 6/20 0.45
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
IL2 P60568 3/20 0.44
PIK3CG P48736 3/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL28506325 0.89 MAP4K1 (0.57) MAP3K11CAMKK2MAP4K1FLT4FLT3
SCHEMBL28511344 0.88 CAMKK2 (0.49) MAP3K11CAMKK2WDR5MAP4K1IL2
SCHEMBL28502218 0.87 MAP4K1 (0.54) MAP3K11CAMKK2MAP4K1IL2PIK3CG
SCHEMBL28511000 0.87 MAP3K11 (0.48) MAP3K11CAMKK2WDR5MAP4K1FLT4
SCHEMBL28906202 0.86 CAMKK2 (0.54) MAP3K11CAMKK2MAP4K1IL2PIK3CG
SCHEMBL28509597 0.85 MAP3K11 (0.46) MAP3K11CAMKK2MAP4K1IL2PIK3CG
SCHEMBL28513743 0.85 MAP4K1 (0.60) MAP3K11CAMKK2MAP4K1IL2
SCHEMBL28504614 0.84 CAMKK2 (0.49) MAP3K11CAMKK2MAP4K1IL2PIK3CG
SCHEMBL28499626 0.84 MAP4K1 (0.61) MAP3K11CAMKK2MAP4K1IL2
SCHEMBL28514908 0.84 MAP4K1 (0.58) MAP3K11CAMKK2MAP4K1FLT4FLT3

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