SCHEMBL4458358

SCHEMBL4458358

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(OC(C)=O)cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.74
JAK3 P52333 1/20 0.74
IKBKB O14920 2/20 0.67
HDAC6 Q9UBN7 6/20 0.66
HDAC1 Q13547 5/20 0.64
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
PRNP P04156 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
PLK1 P53350 1/20 0.57
CHUK O15111 1/20 0.57
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55

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
SCHEMBL4378143 0.90 JAK2 (0.90) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4385401 0.89 JAK2 (0.76) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4379852 0.86 JAK2 (0.82) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4377665 0.86 JAK2 (0.76) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL13588599 0.85 JAK2 (0.81) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4383820 0.85 JAK2 (1.00) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4388808 0.84 JAK2 (0.79) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4376505 0.84 JAK2 (0.79) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL7470447 0.84 JAK2 (0.79) JAK2JAK3IKBKBHDAC6HDAC1
SCHEMBL4390549 0.82 JAK2 (0.76) JAK2JAK3IKBKBHDAC6HDAC1

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 4 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 disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 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