SCHEMBL20145970

SCHEMBL20145970

CC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
BTK Q06187 3/20 0.39
LIPG Q9Y5X9 4/20 0.34
LPL P06858 3/20 0.34
P4HB P07237 1/20 0.34
CXCR2 P25025 2/20 0.32
UCHL1 P09936 1/20 0.32
LIPE Q05469 4/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
BRPF1 P55201 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL1722016 0.87 TSHR (0.41) JAK2BTKLIPGLPLP4HB
SCHEMBL16034519 0.86 JAK2 (0.40) JAK2BTKLIPGLPLP4HB
SCHEMBL2029210 0.86 JAK2 (0.39) JAK2BTKLIPGLPLP4HB
SCHEMBL29691116 0.85 LIPG (0.41) LIPGLPLP4HBCXCR2LIPE
SCHEMBL18865621 0.85 LIPG (0.41) LIPGLPLP4HBCXCR2LIPE
Lithium Ion SCHEMBL31224653 0.84 JAK2 (0.40) JAK2BTKLIPGLPLP4HB
SCHEMBL562324 0.83 LMNA (0.40) JAK2BTKUCHL1
SCHEMBL5840924 0.83 NPC1 (0.42) JAK2BTKUCHL1CA1CA2
SCHEMBL17442251 0.83 KDM4E (0.37) JAK2BTKLIPGLPLP4HB
SCHEMBL12215764 0.81 TSHR (0.50) UCHL1CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed