SCHEMBL28684666

SCHEMBL28684666

COc1ccc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1F

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 19/20 0.72
LCK P06239 4/20 0.72
MAP4K3 Q8IVH8 4/20 0.72
IL2 P60568 1/20 0.59
RPS6KA3 P51812 1/20 0.49

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
SCHEMBL30290623 1.00 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2RPS6KA3
SCHEMBL30290652 0.91 MAP4K1 (0.70) MAP4K1LCKMAP4K3IL2
SCHEMBL28692421 0.91 MAP4K1 (0.70) MAP4K1LCKMAP4K3IL2
SCHEMBL30290655 0.89 MAP4K1 (0.71) MAP4K1LCKMAP4K3IL2
SCHEMBL28674204 0.89 MAP4K1 (0.71) MAP4K1LCKMAP4K3IL2
SCHEMBL28931337 0.89 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2RPS6KA3
SCHEMBL30290525 0.89 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2RPS6KA3
SCHEMBL28667483 0.88 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2
SCHEMBL30290600 0.88 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2
SCHEMBL28668308 0.88 MAP4K1 (0.71) MAP4K1LCKMAP4K3IL2

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-113861188-A Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2021-12-31 CN disclosed