SCHEMBL19243772

SCHEMBL19243772

Cc1ccc(-c2cnc3ccc(B4OC(C)(C)C(C)(C)O4)cn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.40
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 0.40
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
KCNH2 Q12809 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DGAT1 O75907 1/20 0.35
FFAR1 O14842 1/20 0.33
HIF1A Q16665 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL15288409 0.85 MKNK1 (0.46) FLT3LPLLIPGMKNK1MKNK2
SCHEMBL20600818 0.81 LPL (0.39) LPLLIPGDGAT1FFAR1IRAK4
SCHEMBL18041611 0.77 LPL (0.44) LPLLIPGDGAT1FFAR1IRAK4
SCHEMBL24920098 0.76 IRAK4 (0.33) FFAR1IRAK4
SCHEMBL18005093 0.74 TGFBR1 (0.41) PIK3CA
SCHEMBL2735666 0.74 NPC1 (0.59) LPLLIPG
SCHEMBL25322090 0.73 PIK3CA (0.38) FLT3LPLLIPGPIK3CAMTOR
SCHEMBL18041526 0.73 TGFBR1 (0.42) LPLLIPGDGAT1FFAR1
SCHEMBL24920081 0.72
SCHEMBL4470995 0.72 LIPG (0.71) LPLLIPGHIF1A

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-2831079-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2017-08-16 EP disclosed