SCHEMBL28693118

SCHEMBL28693118

CN1CCN(c2ccc(-c3cnc4[nH]nc(-c5cccc(F)c5F)c4c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 20/20 0.54
▸ LCK P06239 1/20 0.49
▸ MAP4K3 Q8IVH8 1/20 0.49
▸ IL2 P60568 1/20 0.47

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
SCHEMBL30290598 1.00 MAP4K1 (0.54) MAP4K1LCKMAP4K3IL2
SCHEMBL28683955 0.87 MAP4K1 (0.57) MAP4K1LCKMAP4K3
SCHEMBL28668308 0.84 MAP4K1 (0.71) MAP4K1LCKMAP4K3IL2
SCHEMBL30290599 0.84 MAP4K1 (0.71) MAP4K1LCKMAP4K3IL2
SCHEMBL30290640 0.83 MAP4K1 (0.71) MAP4K1LCKMAP4K3
SCHEMBL28674874 0.83 MAP4K1 (0.71) MAP4K1LCKMAP4K3
SCHEMBL30290485 0.83 MAP4K1 (0.64) MAP4K1LCKMAP4K3
SCHEMBL28680971 0.83 MAP4K1 (0.64) MAP4K1LCKMAP4K3
SCHEMBL30290615 0.83 MAP4K1 (0.69) MAP4K1LCKMAP4K3
SCHEMBL28682310 0.82 MAP4K1 (0.59) 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
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