SCHEMBL13337355

SCHEMBL13337355

C[C@@H]1CN(c2cccc(Nc3cc(NCc4cc(F)cc(F)c4)c(C(=O)N(C)C)cn3)c2)C[C@H](C)N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.41
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
IRAK4 Q9NWZ3 5/20 0.41
TYK2 P29597 3/20 0.41
GHSR Q92847 3/20 0.39
STAT6 P42226 1/20 0.38
CHEK1 O14757 1/20 0.37
CSF1R P07333 1/20 0.37
BTK Q06187 1/20 0.37
WEE1 P30291 2/20 0.36
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL15355506 0.91 JAK3 (0.52) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2504218 0.91 JAK3 (0.52) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2480542 0.82 STAT6 (0.54) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2480543 0.82 STAT6 (0.54) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2474859 0.80 JAK3 (0.56) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2474857 0.80 JAK3 (0.56) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2476267 0.77 JAK3 (0.54) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL12301541 0.76 JAK3 (0.52) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2478938 0.76 STAT6 (0.61) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2483540 0.75 JAK3 (0.52) JAK3JAK2JAK1IRAK4TYK2

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-2010061971-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE 興和株式会社 (JP) 2010-06-03 WO disclosed