SCHEMBL30290664

SCHEMBL30290664

Cc1cc(-c2n[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.59
HTR6 P50406 2/20 0.50
ALK Q9UM73 2/20 0.48
LCK P06239 3/20 0.47
MAP4K3 Q8IVH8 3/20 0.47
IL2 P60568 1/20 0.47
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL28667560 1.00 MAP4K1 (0.59) MAP4K1HTR6ALKLCKMAP4K3
SCHEMBL28675326 0.90 MAP4K1 (0.58) MAP4K1HTR6ALKLCKMAP4K3
SCHEMBL30290646 0.90 MAP4K1 (0.58) MAP4K1HTR6ALKLCKMAP4K3
SCHEMBL28687893 0.88 MAP4K1 (0.57) MAP4K1HTR6ALKLCKMAP4K3
SCHEMBL30290614 0.88 MAP4K1 (0.57) MAP4K1HTR6ALKLCKMAP4K3
SCHEMBL30290736 0.88 MAP4K1 (0.65) MAP4K1ALKLCKMAP4K3KIT
SCHEMBL28675336 0.88 MAP4K1 (0.65) MAP4K1ALKLCKMAP4K3KIT
SCHEMBL30290659 0.87 MAP4K1 (0.73) MAP4K1ALKLCKMAP4K3KIT
SCHEMBL28682125 0.87 MAP4K1 (0.73) MAP4K1ALKLCKMAP4K3KIT
SCHEMBL28674204 0.86 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-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