SCHEMBL14765623

SCHEMBL14765623

CCN1CCC(=O)NCCCOc2ccc(CI)cc2Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.35
JAK2 O60674 4/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK3 P52333 4/20 0.34
MAP4K1 Q92918 5/20 0.34
MAP4K3 Q8IVH8 2/20 0.34
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
ALK Q9UM73 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
SCHEMBL14765637 0.93 MAP4K1 (0.37) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL14765621 0.92 CHEK1 (0.41) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL463855 0.92 JAK2 (0.35) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL414486 0.92 CHEK1 (0.39) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL14765618 0.89 JAK2 (0.36) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL10280140 0.88 JAK2 (0.37) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL415980 0.87 JAK2 (0.41) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL14765620 0.86 MAP4K1 (0.34) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL14765638 0.85 CHEK1 (0.41) CHEK1MAP4K1MAP4K3AXLFLT3
SCHEMBL10290549 0.85 CHEK1 (0.40) CHEK1JAK2JAK1TYK2JAK3

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