SCHEMBL30032035

SCHEMBL30032035

CNCc1cc(C)c(-c2cc3c(-c4cnc(N5CCN(C)CC5)nc4)n[nH]c3cc2F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.54
NTRK1 P04629 4/20 0.54
KIT P10721 4/20 0.54
FLT3 P36888 4/20 0.54
DYRK1A Q13627 4/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
LRRK2 Q5S007 8/20 0.38
GSK3B P49841 3/20 0.37

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
SCHEMBL28905423 1.00 MAP4K1 (0.54) MAP4K1NTRK1KITFLT3DYRK1A
SCHEMBL20791776 0.91 MAP4K1 (0.51) MAP4K1NTRK1KITFLT3DYRK1A
SCHEMBL30033440 0.90 CLK2 (0.42) MAP4K1NTRK1KITFLT3DYRK1A
SCHEMBL28905421 0.90 CLK2 (0.42) MAP4K1NTRK1KITFLT3DYRK1A
SCHEMBL29746585 0.84 MAP4K1 (0.69) MAP4K1NTRK1KITFLT3DYRK1A
SCHEMBL19949984 0.84 MAP4K1 (0.69) MAP4K1NTRK1KITFLT3DYRK1A
SCHEMBL19949764 0.80 MAP4K1 (0.46) MAP4K1NTRK1KITFLT3
SCHEMBL24752609 0.74 LRRK2 (0.45) MAP4K1FLT3DYRK1ACLK2CLK3
SCHEMBL20791770 0.74 NTRK1 (0.46) MAP4K1NTRK1KITFLT3LRRK2
SCHEMBL20791772 0.74 MAP4K1 (0.45) MAP4K1NTRK1KITFLT3

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-115433161-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-12-06 CN disclosed