SCHEMBL1634346

SCHEMBL1634346

CC(C)NC(=O)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.57
JAK1 P23458 3/20 0.57
TYK2 P29597 3/20 0.57
JAK3 P52333 3/20 0.57
TNIK Q9UKE5 1/20 0.51
PTK2 Q05397 8/20 0.43
TBK1 Q9UHD2 1/20 0.42
ALK Q9UM73 3/20 0.41
INSR P06213 1/20 0.41
KCNH2 Q12809 1/20 0.41
P2RX3 P56373 1/20 0.40
FLT3 P36888 1/20 0.40
SCN9A Q15858 2/20 0.39

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
SCHEMBL1632728 0.90 JAK2 (0.59) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634268 0.89 JAK2 (0.56) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633373 0.89 JAK2 (0.59) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633506 0.89 JAK2 (0.57) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633512 0.87 JAK2 (0.56) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632892 0.86 JAK2 (0.62) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632726 0.83 JAK2 (0.54) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633590 0.82 JAK2 (0.57) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634720 0.82 PTK2 (0.47) JAK2JAK1TYK2JAK3PTK2
SCHEMBL1633875 0.80 JAK2 (0.59) JAK2JAK1TYK2JAK3TNIK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed