SCHEMBL14765637

SCHEMBL14765637

CN1CCC(=O)NCCCOc2ccc(CI)cc2Nc2ncc(C#N)c(n2)Nc2cccc(c2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.37
FLT3 P36888 2/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
ALK Q9UM73 3/20 0.36
JAK2 O60674 5/20 0.35
JAK1 P23458 4/20 0.35
TYK2 P29597 4/20 0.35
JAK3 P52333 4/20 0.35
MAP4K3 Q8IVH8 2/20 0.35
CHEK1 O14757 8/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL14765623 0.93 CHEK1 (0.35) MAP4K1FLT3AXLTYRO3MERTK
SCHEMBL14765621 0.91 CHEK1 (0.41) MAP4K1ALKJAK2JAK1TYK2
SCHEMBL463816 0.91 ALK (0.37) MAP4K1FLT3AXLTYRO3MERTK
SCHEMBL413910 0.91 CHEK1 (0.41) MAP4K1FLT3ALKJAK2JAK1
SCHEMBL14765620 0.88 MAP4K1 (0.34) MAP4K1FLT3AXLTYRO3MERTK
SCHEMBL414507 0.88 JAK2 (0.41) MAP4K1FLT3ALKJAK2JAK1
SCHEMBL416112 0.87 ALK (0.41) MAP4K1FLT3ALKJAK2JAK1
SCHEMBL416119 0.85 ALK (0.40) MAP4K1FLT3AXLTYRO3MERTK
SCHEMBL10290794 0.85 CHEK1 (0.37) MAP4K1FLT3AXLTYRO3MERTK
SCHEMBL14765638 0.85 CHEK1 (0.41) MAP4K1FLT3AXLTYRO3MERTK

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