SCHEMBL28680971

SCHEMBL28680971

CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5cccc(-c6ccccc6)c5)c4c3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.64
ALK Q9UM73 2/20 0.56
CHEK1 O14757 1/20 0.52
MELK Q14680 1/20 0.51
JAK2 O60674 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
ACVR1 Q04771 1/20 0.50
LCK P06239 1/20 0.50
MAP4K3 Q8IVH8 1/20 0.50

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
SCHEMBL30290485 1.00 MAP4K1 (0.64) MAP4K1ALKCHEK1MELKJAK2
SCHEMBL30290640 0.94 MAP4K1 (0.71) MAP4K1ALKCHEK1MELKACVR1
SCHEMBL28674874 0.94 MAP4K1 (0.71) MAP4K1ALKCHEK1MELKACVR1
SCHEMBL28693364 0.88 MAP4K1 (0.57) MAP4K1CHEK1LCKMAP4K3
SCHEMBL30290489 0.88 MAP4K1 (0.54) MAP4K1CHEK1LCKMAP4K3
SCHEMBL28693837 0.88 MAP4K1 (0.54) MAP4K1CHEK1LCKMAP4K3
SCHEMBL30290736 0.88 MAP4K1 (0.65) MAP4K1ALKLCKMAP4K3
SCHEMBL28682310 0.86 MAP4K1 (0.59) MAP4K1CHEK1JAK2LCKMAP4K3
SCHEMBL28666223 0.86 MAP4K1 (0.71) MAP4K1ALKCHEK1LCKMAP4K3
SCHEMBL28680967 0.86 MAP4K1 (0.57) MAP4K1ALKCHEK1LCKMAP4K3

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