SCHEMBL1937115

SCHEMBL1937115

O=CCc1ccc(Nc2ncc(Cl)c(NC3CC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.48
HDAC3 O15379 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
AURKA O14965 1/20 0.47
ALK Q9UM73 1/20 0.47
ULK1 O75385 1/20 0.46
ULK2 Q8IYT8 1/20 0.46

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
SCHEMBL1937720 0.86 CTSC (0.48) SYKHDAC3JAK2JAK1TYK2
SCHEMBL4442460 0.85 SYK (0.53) SYKHDAC3JAK2JAK1TYK2
SCHEMBL3265411 0.81 AURKA (0.52) SYKHDAC3JAK2JAK1TYK2
SCHEMBL3136804 0.81 JAK2 (0.65) SYKJAK2JAK1TYK2JAK3
SCHEMBL4442456 0.81 SYK (0.50) SYKHDAC3JAK2JAK1TYK2
SCHEMBL1937140 0.80 SYK (0.48) SYKHDAC3JAK2JAK1TYK2
SCHEMBL3150023 0.80 AURKA (0.61) SYKJAK2AURKA
SCHEMBL3135192 0.80 SYK (0.56) SYKHDAC3JAK2JAK1TYK2
SCHEMBL1937114 0.79 SYK (0.57) SYKALK
SCHEMBL10310494 0.77 SYK (0.54) SYKALKULK1ULK2

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
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed