SCHEMBL19951676

SCHEMBL19951676

CNCc1cc(C)c(-c2cc(-c3cnc(N4CCOCC4)nc3)n[nH]2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.45
NTRK1 P04629 4/20 0.45
KIT P10721 4/20 0.45
FLT3 P36888 4/20 0.45
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.35
WDR5 P61964 5/20 0.34
AOC3 Q16853 3/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIK3CA P42336 2/20 0.34
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
TRPV3 Q8NET8 1/20 0.34

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
SCHEMBL19951623 0.78 MAP4K1 (0.45) MAP4K1NTRK1KITFLT3
SCHEMBL19949930 0.77 MAP4K1 (0.44) MAP4K1NTRK1KITFLT3KDM4E
SCHEMBL19964796 0.74 MAP4K1 (0.42) MAP4K1NTRK1KITFLT3KDM4E
SCHEMBL19951650 0.73 ALDH1A1 (0.52) MAP4K1NTRK1KITFLT3KDM4E
SCHEMBL28905423 0.71 MAP4K1 (0.54) MAP4K1NTRK1KITFLT3
SCHEMBL30032035 0.71 MAP4K1 (0.54) MAP4K1NTRK1KITFLT3
SCHEMBL20791776 0.69 MAP4K1 (0.51) MAP4K1NTRK1KITFLT3
SCHEMBL19949984 0.69 MAP4K1 (0.69) MAP4K1NTRK1KITFLT3
SCHEMBL29746585 0.69 MAP4K1 (0.69) MAP4K1NTRK1KITFLT3
SCHEMBL20791770 0.68 NTRK1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018049214-A9 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-10-18 WO disclosed
WO-2018049214-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed