SCHEMBL28680967

SCHEMBL28680967

CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5cccnc5)c4c3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.57
DYRK1A Q13627 2/20 0.53
CLK1 P49759 1/20 0.53
CHEK1 O14757 2/20 0.49
ALK Q9UM73 1/20 0.49
LCK P06239 1/20 0.49
MAP4K3 Q8IVH8 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48

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
SCHEMBL30290451 1.00 MAP4K1 (0.57) MAP4K1DYRK1ACLK1CHEK1ALK
SCHEMBL30290452 0.97 MAP4K1 (0.59) MAP4K1DYRK1ACLK1CHEK1ALK
SCHEMBL28668303 0.97 MAP4K1 (0.59) MAP4K1DYRK1ACLK1CHEK1ALK
SCHEMBL28674874 0.89 MAP4K1 (0.71) MAP4K1CHEK1ALKLCKMAP4K3
SCHEMBL30290640 0.89 MAP4K1 (0.71) MAP4K1CHEK1ALKLCKMAP4K3
SCHEMBL28667479 0.88 MAP4K1 (0.57) MAP4K1CHEK1LCKMAP4K3ACHE
SCHEMBL30290485 0.86 MAP4K1 (0.64) MAP4K1CHEK1ALKLCKMAP4K3
SCHEMBL28680971 0.86 MAP4K1 (0.64) MAP4K1CHEK1ALKLCKMAP4K3
SCHEMBL28682310 0.85 MAP4K1 (0.59) MAP4K1CHEK1LCKMAP4K3ACHE
SCHEMBL28687884 0.84 MAP4K1 (0.67) MAP4K1CHEK1LCKMAP4K3ACHE

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