SCHEMBL14765622

SCHEMBL14765622

N#Cc1cnc2nc1Nc1ccc(cc1)CN1CCN(CCC(=O)NCCCOc3ccc(cc3CI)N2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.35
MAP4K3 Q8IVH8 6/20 0.34
MERTK Q12866 5/20 0.33
FLT3 P36888 4/20 0.33
TYRO3 Q06418 4/20 0.33
AXL P30530 3/20 0.33
NTRK1 P04629 1/20 0.32
CYP3A4 P08684 1/20 0.32
CLK2 P49760 1/20 0.32
MAP4K2 Q12851 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
CHEK1 O14757 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30

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
SCHEMBL14765639 0.96 MAP4K1 (0.34) MAP4K1MAP4K3MERTKFLT3TYRO3
SCHEMBL414498 0.89 JAK2 (0.36) MAP4K1MAP4K3MERTKFLT3TYRO3
SCHEMBL463809 0.89 MAP4K1 (0.35) MAP4K1MAP4K3MERTKFLT3TYRO3
SCHEMBL463857 0.86 MERTK (0.34) MAP4K1MAP4K3MERTKFLT3TYRO3
SCHEMBL14765618 0.85 JAK2 (0.36) MAP4K1MAP4K3MERTKTYRO3NTRK1
SCHEMBL415982 0.84 JAK2 (0.34) MAP4K1MAP4K3MERTKFLT3TYRO3
SCHEMBL14765619 0.84 BMPR2 (0.36)
SCHEMBL463817 0.81 CHEK1 (0.41) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL414491 0.79 CHEK1 (0.38) MAP4K1MAP4K3CHEK1JAK2JAK1
SCHEMBL14765620 0.79 MAP4K1 (0.34) MAP4K1MAP4K3MERTKFLT3TYRO3

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