SCHEMBL19576142

SCHEMBL19576142

NCC(=O)Nc1cccc(F)c1C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
HTT P42858 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NPC1 O15118 4/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
F10 P00742 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL19255780 0.84 F2R (0.60) GAANPC1RAB9ASMN1; SMN2
SCHEMBL30739749 0.80 JAK2 (0.71) GAAJAK2JAK1TYK2HTT
SCHEMBL19576334 0.80 GAA (0.56) GAAJAK2JAK1TYK2HTT
SCHEMBL16584740 0.79 F10 (0.43) GAAJAK2JAK1TYK2HTT
SCHEMBL19209037 0.78 GAA (0.44) GAAJAK2JAK1TYK2HTT
SCHEMBL19209038 0.78 GAA (0.44) GAAJAK2JAK1TYK2HTT
SCHEMBL19935743 0.76 KMT2A (0.49) GAAJAK2JAK1TYK2HTT
SCHEMBL19576325 0.76 KMT2A (0.49) GAAJAK2JAK1TYK2HTT
SCHEMBL16346420 0.76 GAA (0.59) GAAJAK2JAK1TYK2HTT
SCHEMBL16345869 0.76 GAA (0.48) GAAJAK2JAK1TYK2HTT

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-2017191608-A1 NOVEL PROCESS FOR PREPARATION OF IDELALISIB LAURUS LABS LIMITED (IN) 2017-11-09 WO disclosed