SCHEMBL4461244

SCHEMBL4461244

CN(C(=O)C1CCCCN1)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.71
JAK3 P52333 13/20 0.71
JAK1 P23458 5/20 0.71
TYK2 P29597 4/20 0.71
PDGFRB P09619 2/20 0.71
FLT3 P36888 2/20 0.71
PLK4 O00444 2/20 0.71
CIT O14578 2/20 0.71
GAK O14976 2/20 0.71
ROCK2 O75116 2/20 0.71
PRKD3 O94806 2/20 0.71
CSNK2A2 P19784 2/20 0.71
MARK3 P27448 2/20 0.71
MAPK8 P45983 2/20 0.71
NEK3 P51956 2/20 0.71
IKBKE Q14164 2/20 0.71
AAK1 Q2M2I8 2/20 0.71
ULK3 Q6PHR2 2/20 0.71
Q6ZSR9 Q6ZSR9 2/20 0.71
MARK2 Q7KZI7 2/20 0.71

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
SCHEMBL4764597 0.96 JAK2 (0.69) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378445 0.86 JAK2 (0.95) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378440 0.86 JAK2 (0.95) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378028 0.84 JAK2 (0.75) JAK2JAK3JAK1TYK2PLK4
SCHEMBL4383114 0.84 JAK2 (0.72) JAK2JAK3JAK1TYK2PLK4
Xl-019 SCHEMBL4382715 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL4379072 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL29366461 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL30925304 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
Xl-019 SCHEMBL4380116 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed