SCHEMBL19964796

SCHEMBL19964796

CNCc1cc(C)c(-c2nc3c(-c4cnc(N5CCCOCC5)nc4)n[nH]c3cc2C#N)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.42
NTRK1 P04629 4/20 0.42
KIT P10721 4/20 0.42
FLT3 P36888 4/20 0.42
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LRRK2 Q5S007 4/20 0.33
PIK3CA P42336 1/20 0.33
FGFR3 P22607 1/20 0.32
CHEK1 O14757 2/20 0.32
PIK3CD O00329 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL19949930 0.97 MAP4K1 (0.44) MAP4K1NTRK1KITFLT3NSD2
SCHEMBL19949764 0.89 MAP4K1 (0.46) MAP4K1NTRK1KITFLT3ALDH1A1
SCHEMBL19949817 0.82 MAP4K1 (0.42) MAP4K1ALDH1A1LRRK2PIK3CDUSP2
SCHEMBL19949869 0.80 MAP4K1 (0.45) MAP4K1NTRK1KITFLT3FGFR3
SCHEMBL19949830 0.80 MAP4K1 (0.63) MAP4K1NTRK1KITFLT3FGFR3
SCHEMBL19960797 0.79 MAP4K1 (0.46) MAP4K1NTRK1KITFLT3FGFR3
SCHEMBL19949834 0.79 MAP4K1 (0.41) MAP4K1NTRK1KITFLT3LRRK2
SCHEMBL19949874 0.76 NTRK1 (0.44) MAP4K1NTRK1KITFLT3LRRK2
SCHEMBL20791776 0.76 MAP4K1 (0.51) MAP4K1NTRK1KITFLT3LRRK2
SCHEMBL19949839 0.76 MAP4K1 (0.41) MAP4K1NTRK1KITFLT3LRRK2

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