SCHEMBL14708296

SCHEMBL14708296

Bc1cn([C@H]2CN(Cc3ccccc3)CC[C@H]2C)c2c(cnc3[nH]ccc32)c1=O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.67
JAK2 O60674 17/20 0.67
JAK3 P52333 15/20 0.67
TYK2 P29597 11/20 0.67

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
SCHEMBL14708331 0.91 JAK1 (0.68) JAK1JAK2JAK3TYK2
SCHEMBL16477607 0.90 JAK1 (0.67) JAK1JAK2JAK3TYK2
SCHEMBL14697497 0.86 JAK1 (0.75) JAK1JAK2JAK3TYK2
SCHEMBL13397912 0.81 JAK1 (0.66) JAK1JAK2JAK3TYK2
SCHEMBL2274433 0.81 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL566555 0.81 JAK1 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL565627 0.81 JAK1 (0.74) JAK1JAK2JAK3TYK2
SCHEMBL3314386 0.77 JAK1 (0.66) JAK1JAK2JAK3TYK2
SCHEMBL3315133 0.77 JAK1 (0.66) JAK1JAK2JAK3TYK2
SCHEMBL13398153 0.77 JAK1 (0.66) JAK1JAK2JAK3TYK2

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-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 WO disclosed