SCHEMBL14765638

SCHEMBL14765638

N#Cc1cnc2nc1Nc1ccc(cc1)CN(CCN1CCOCC1)CCC(=O)NCCCOc1ccc(CI)cc1N2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.41
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
MAP4K3 Q8IVH8 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL14765621 0.94 CHEK1 (0.41) CHEK1MAP4K3MAP4K1
SCHEMBL416121 0.91 CHEK1 (0.41) CHEK1
SCHEMBL463818 0.91 CHEK1 (0.41) CHEK1MAP4K3MAP4K1
SCHEMBL414491 0.86 CHEK1 (0.38) CHEK1MAP4K3MAP4K1
SCHEMBL10290492 0.86 CHEK1 (0.37) CHEK1AXLFLT3TYRO3MERTK
SCHEMBL413909 0.85 CHEK1 (0.40) CHEK1
SCHEMBL471024 0.85 CHEK1 (0.40) CHEK1MAP4K1
SCHEMBL14765623 0.85 CHEK1 (0.35) CHEK1AXLFLT3TYRO3MERTK
SCHEMBL10290549 0.85 CHEK1 (0.40) CHEK1MAP4K1
SCHEMBL14765637 0.85 MAP4K1 (0.37) CHEK1AXLFLT3TYRO3MERTK

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