SCHEMBL1634663

SCHEMBL1634663

O=C(NC1CCCC1)c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.59
JAK2 O60674 5/20 0.56
JAK1 P23458 3/20 0.56
JAK3 P52333 3/20 0.56
TYK2 P29597 2/20 0.56
BRD4 O60885 4/20 0.53
BRD2 P25440 1/20 0.52
BRD3 Q15059 1/20 0.52
BRDT Q58F21 1/20 0.52
TNIK Q9UKE5 1/20 0.50
ALK Q9UM73 1/20 0.47

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
SCHEMBL1632384 0.97 PTK2 (0.61) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1634146 0.93 PTK2 (0.59) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1632728 0.89 JAK2 (0.59) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1633875 0.88 JAK2 (0.59) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1634268 0.87 JAK2 (0.56) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1633532 0.87 JAK2 (0.52) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1635109 0.87 JAK2 (0.56) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1632798 0.87 JAK2 (0.58) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1633215 0.86 JAK2 (0.55) PTK2JAK2JAK1JAK3TYK2
SCHEMBL1634250 0.85 JAK2 (0.56) PTK2JAK2JAK1JAK3TYK2

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 3 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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed