SCHEMBL14765618

SCHEMBL14765618

CCN1CCC(=O)NCCCOc2ccc(cc2CI)Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.36
JAK1 P23458 9/20 0.36
TYK2 P29597 9/20 0.36
JAK3 P52333 9/20 0.36
ALK Q9UM73 7/20 0.35
MAP4K1 Q92918 8/20 0.35
MAP4K3 Q8IVH8 5/20 0.35
NTRK1 P04629 1/20 0.33
CYP3A4 P08684 1/20 0.33
CLK2 P49760 1/20 0.33
TYRO3 Q06418 1/20 0.33
MAP4K2 Q12851 1/20 0.33
MERTK Q12866 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33

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
SCHEMBL10280140 0.92 JAK2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL415980 0.91 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL14765623 0.89 CHEK1 (0.35) JAK2JAK1TYK2JAK3ALK
SCHEMBL414486 0.88 CHEK1 (0.39) JAK2JAK1TYK2JAK3ALK
SCHEMBL463855 0.88 JAK2 (0.35) JAK2JAK1TYK2JAK3ALK
SCHEMBL14765622 0.85 MAP4K1 (0.35) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL14765637 0.82 MAP4K1 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL14765621 0.82 CHEK1 (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL10290549 0.81 CHEK1 (0.40) JAK2JAK1TYK2JAK3ALK
SCHEMBL14765639 0.80 MAP4K1 (0.34) MAP4K1MAP4K3NTRK1CYP3A4CLK2

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
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed