SCHEMBL28988367

SCHEMBL28988367

Cn1cc(-c2nn(C(=O)OC(C)(C)C)c3cnc(-c4c(F)cc(C(=N)CCl)cc4OC(F)F)cc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.35
NTRK1 P04629 4/20 0.35
KIT P10721 4/20 0.35
FLT3 P36888 4/20 0.35
TYRO3 Q06418 5/20 0.33
MERTK Q12866 5/20 0.33
AXL P30530 3/20 0.33
MAP2K4 P45985 1/20 0.32
CACNA1H O95180 2/20 0.32
TTK P33981 2/20 0.30
GPR119 Q8TDV5 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL19950412 0.88 MAP4K1 (0.36) MAP4K1NTRK1KITFLT3TYRO3
SCHEMBL29746687 0.88 MAP4K1 (0.36) MAP4K1NTRK1KITFLT3TYRO3
SCHEMBL19950513 0.86 MAP4K1 (0.37) MAP4K1NTRK1KITFLT3TYRO3
SCHEMBL29746418 0.86 MAP4K1 (0.37) MAP4K1NTRK1KITFLT3TYRO3
SCHEMBL28988366 0.83 MAP2K4 (0.42) TYRO3MERTKAXLMAP2K4TTK
SCHEMBL19960726 0.80 MAP4K1 (0.40) MAP4K1NTRK1KITFLT3MAP2K4
SCHEMBL19950162 0.80 MAP4K1 (0.44) MAP4K1NTRK1KITFLT3TYRO3
SCHEMBL29746530 0.80 MAP4K1 (0.44) MAP4K1NTRK1KITFLT3TYRO3
SCHEMBL19950375 0.79 MAP4K1 (0.43) MAP4K1NTRK1KITFLT3MAP2K4
SCHEMBL29746563 0.79 MAP4K1 (0.43) MAP4K1NTRK1KITFLT3MAP2K4

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-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 CN disclosed