SCHEMBL28667754

SCHEMBL28667754

COc1cc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.71
FYN P06241 1/20 0.62
LCK P06239 4/20 0.61
MAP4K3 Q8IVH8 4/20 0.61
IL2 P60568 1/20 0.61
TGFBR1 P36897 7/20 0.54
ACVR1 Q04771 4/20 0.54
RIPK2 O43353 1/20 0.52
BMPR1A P36894 1/20 0.52
ACVRL1 P37023 1/20 0.52
ACVR1B P36896 1/20 0.51

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
SCHEMBL30290652 0.91 MAP4K1 (0.70) MAP4K1LCKMAP4K3IL2
SCHEMBL28692421 0.91 MAP4K1 (0.70) MAP4K1LCKMAP4K3IL2
SCHEMBL30290525 0.89 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2
SCHEMBL28931337 0.89 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2
SCHEMBL30290655 0.87 MAP4K1 (0.71) MAP4K1FYNLCKMAP4K3IL2
SCHEMBL28674204 0.87 MAP4K1 (0.71) MAP4K1FYNLCKMAP4K3IL2
SCHEMBL30290501 0.86 MAP4K1 (0.69) MAP4K1LCKMAP4K3IL2
SCHEMBL28683749 0.86 MAP4K1 (0.69) MAP4K1LCKMAP4K3IL2
SCHEMBL28684666 0.86 MAP4K1 (0.72) MAP4K1LCKMAP4K3IL2
SCHEMBL30290593 0.85 MAP4K1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861188-B Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor 杭州医学院 2023-02-28 CN disclosed
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