SCHEMBL4564955

SCHEMBL4564955

CC(=O)Nc1ccc(-c2ccnc(NC3CC[N+](C(=O)[O-])(C(C)(C)C)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.50
JAK3 P52333 2/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
PRNP P04156 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
JMJD1C Q15652 3/20 0.45
KDM3B Q7LBC6 3/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 4/20 0.45
IKBKB O14920 2/20 0.44
CHUK O15111 1/20 0.44

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
SCHEMBL3753598 0.79 IKBKB (0.65) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL16390873 0.77 JAK2 (0.57) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL4583495 0.77 JAK2 (0.55) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL3752806 0.76 PTPN2 (0.55) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL4381755 0.75 DGAT1 (0.63) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL4378143 0.71 JAK2 (0.90) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL3764395 0.71 JAK2 (0.68) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL3953085 0.70 DGAT1 (0.54) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL13588599 0.70 JAK2 (0.81) JAK2JAK3KDM4EMEN1PRNP
SCHEMBL8081927 0.69 MEN1 (0.75) JAK2JAK3KDM4EMEN1PRNP

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
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 disclosed