SCHEMBL27828895

SCHEMBL27828895

CN(C[SH](=O)=O)c1cccc(CNc2cc(Cl)ncc2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.45
IRAK4 Q9NWZ3 3/20 0.45
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
TYK2 P29597 2/20 0.45
RPS6KB1 P23443 4/20 0.42
AKT1 P31749 1/20 0.42
CSF1R P07333 1/20 0.41
BTK Q06187 1/20 0.41
CD38 P28907 2/20 0.41
PTK2 Q05397 4/20 0.40
AURKA O14965 3/20 0.39
VNN1 O95497 1/20 0.39
AURKB Q96GD4 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL2484302 0.88 JAK3 (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2507819 0.83 PTK2 (0.55) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL27847524 0.82 CD38 (0.40) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2476348 0.81 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2479562 0.81 RPS6KB1 (0.55) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2482471 0.81 RPS6KB1 (0.60) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL27847536 0.81 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12456033 0.80 RPS6KB1 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2480282 0.79 JAK3 (0.67) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12206941 0.79 JAK3 (0.55) JAK3IRAK4JAK2JAK1TYK2

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-102227409-A Pyridine-3-carboxyamide derivative KOWA CO 2011-10-26 CN disclosed