SCHEMBL4419211

SCHEMBL4419211

CC(Nc1nc(N)nc(N2CCOCC2)n1)c1ncc(F)cn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.54
JAK3 P52333 9/20 0.53
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
PIK3CA P42336 4/20 0.42
MTOR P42345 4/20 0.42
PIK3R1 P27986 3/20 0.42
RICTOR Q6R327 1/20 0.42
RPTOR Q8N122 1/20 0.42
MAPKAP1 Q9BPZ7 1/20 0.42
MLST8 Q9BVC4 1/20 0.42
NTRK1 P04629 1/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2161854 1.00 JAK2 (0.54) JAK2JAK3MAPK1MAPTPIK3CA
SCHEMBL4421973 0.87 JAK2 (0.54) JAK2JAK3MAPK1MAPTNTRK1
SCHEMBL2160844 0.87 JAK2 (0.54) JAK2JAK3MAPK1MAPTNTRK1
SCHEMBL13573910 0.84 JAK2 (0.60) JAK2JAK3MAPK1MAPTNTRK1
SCHEMBL2162064 0.82 JAK2 (0.54) JAK2JAK3MAPTKCNH2
SCHEMBL1396445 0.82 JAK2 (0.54) JAK2JAK3MAPTKCNH2
SCHEMBL1396515 0.82 JAK2 (0.57) JAK2JAK3MAPTNTRK1
SCHEMBL2162010 0.82 JAK2 (0.57) JAK2JAK3MAPTNTRK1
SCHEMBL2160983 0.81 JAK2 (0.57) JAK2JAK3NTRK1
SCHEMBL4571027 0.80 JAK2 (0.74) JAK2JAK3MAPTNTRK1KCNH2

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
WO-2009150462-A1 TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-12-17 WO disclosed