SCHEMBL27787262

SCHEMBL27787262

Nc1cc(NC(=O)c2cnccn2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.63
NPC1 O15118 12/20 0.63
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 5/20 0.60
TP53 P04637 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
USP2 O75604 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
BACE1 P56817 1/20 0.54
BACE2 Q9Y5Z0 1/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL27910747 0.81 KMT2A (0.61) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL7718028 0.80 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1455288 0.80 MAPT (0.76) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL28187946 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL18086518 0.78 HDAC3 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29878091 0.78 GRM4 (0.54) KMT2ABACE1
SCHEMBL12010995 0.78 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL11903751 0.77 KMT2A (0.70) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL4191155 0.77 GAA (0.62) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL1454424 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53

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-101594871-A Pyrrolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2009-12-02 CN disclosed