SCHEMBL13692725

SCHEMBL13692725

NCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CC(C(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.53
▸ JAK2 O60674 18/20 0.53
▸ JAK3 P52333 14/20 0.53
▸ RET P07949 3/20 0.52
▸ TYK2 P29597 3/20 0.52
▸ ROCK1 Q13464 3/20 0.52
▸ CIT O14578 2/20 0.52
▸ GAK O14976 2/20 0.52
▸ ROCK2 O75116 2/20 0.52
▸ ULK1 O75385 2/20 0.52
▸ PRKCA P17252 2/20 0.52
▸ PRKACA P17612 2/20 0.52
▸ MARK3 P27448 2/20 0.52
▸ CLK1 P49759 2/20 0.52
▸ MAP3K1 Q13233 2/20 0.52
▸ CAMK2G Q13555 2/20 0.52
▸ CAMK2D Q13557 2/20 0.52
▸ PKN1 Q16512 2/20 0.52
▸ AAK1 Q2M2I8 2/20 0.52
▸ Q6ZSR9 Q6ZSR9 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
SCHEMBL13692678 0.89 JAK1 (0.56) JAK1JAK2JAK3RETTYK2
SCHEMBL871454 0.88 JAK2 (0.67) JAK1JAK2JAK3RETTYK2
SCHEMBL2606655 0.88 JAK1 (0.65) JAK1JAK2JAK3RETTYK2
SCHEMBL871455 0.88 JAK2 (0.67) JAK1JAK2JAK3RETTYK2
SCHEMBL13692723 0.87 JAK1 (0.54) JAK1JAK2JAK3RETTYK2
SCHEMBL13692661 0.86 JAK1 (0.56) JAK1JAK2JAK3RETTYK2
SCHEMBL13692728 0.86 JAK1 (0.56) JAK1JAK2JAK3RETTYK2
SCHEMBL13692576 0.84 JAK1 (0.55) JAK1JAK2JAK3RETTYK2
SCHEMBL13692655 0.84 JAK2 (0.60) JAK1JAK2JAK3RETTYK2
SCHEMBL22730717 0.83 JAK1 (0.54) JAK1JAK2JAK3RETTYK2

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-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 — — WO disclosed
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