SCHEMBL14765620

SCHEMBL14765620

N#Cc1cnc2nc1Nc1cccc(c1)CN1CCN(CCC(=O)NCCOc3ccc(CI)cc3N2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.34
MAP4K3 Q8IVH8 4/20 0.34
JAK2 O60674 7/20 0.33
JAK1 P23458 7/20 0.33
TYK2 P29597 7/20 0.33
JAK3 P52333 7/20 0.33
ALK Q9UM73 5/20 0.33
AXL P30530 2/20 0.32
FLT3 P36888 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
HTR1A P08908 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL414475 0.91 JAK2 (0.38) JAK2JAK1TYK2JAK3ALK
SCHEMBL463865 0.91 JAK2 (0.34) MAP4K1MAP4K3JAK2JAK1TYK2
SCHEMBL10291309 0.90 CHEK1 (0.36) MAP4K1MAP4K3JAK2JAK1TYK2
SCHEMBL14765637 0.88 MAP4K1 (0.37) MAP4K1MAP4K3JAK2JAK1TYK2
SCHEMBL413912 0.88 JAK2 (0.39) JAK2JAK1TYK2JAK3ALK
SCHEMBL463817 0.87 CHEK1 (0.41) JAK2JAK1TYK2JAK3ALK
SCHEMBL14765623 0.86 CHEK1 (0.35) MAP4K1MAP4K3JAK2JAK1TYK2
SCHEMBL14765621 0.85 CHEK1 (0.41) MAP4K1MAP4K3JAK2JAK1TYK2
SCHEMBL416112 0.83 ALK (0.41) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL14765639 0.83 MAP4K1 (0.34) MAP4K1MAP4K3AXLFLT3TYRO3

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