SCHEMBL20344872

SCHEMBL20344872

Nc1ccc(N2CCN(C3COC3)CC2)c(OCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.52
CD63 P08962 2/20 0.52
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TBK1 Q9UHD2 6/20 0.36
F2 P00734 1/20 0.35
F12 P00748 1/20 0.35
PRMT5 O14744 1/20 0.35
ESRRG P62508 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
JAK2 O60674 2/20 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
SCHEMBL16848693 0.88 CD63 (0.43) SYKCD63MEN1KMT2AGAA
SCHEMBL24904153 0.85 BRAF (0.42) SYKCD63GAAMAPTSMN1; SMN2
SCHEMBL14320302 0.83 MAPT (0.55) SYKCD63MEN1KMT2AGAA
SCHEMBL15540550 0.81 NR4A1 (0.46) GAAMAPTSMN1; SMN2TBK1ALDH1A1
SCHEMBL16851815 0.80 CD63 (0.38) SYKCD63MEN1KMT2AGAA
SCHEMBL30019224 0.80 MAPT (0.52) MEN1KMT2AGAAMAPTESRRG
SCHEMBL17630840 0.78 MAP3K12 (0.41) GAAMAPTSMN1; SMN2TBK1JAK2
SCHEMBL27038804 0.76 EML4 (0.42) SYKMAPTTLR9TLR7HRH3
SCHEMBL17630392 0.75 MAPT (0.62) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL30376114 0.75 SMN1; SMN2 (0.51) MEN1KMT2AGAAMAPTSMN1; SMN2

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-3342773-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2018-07-04 EP disclosed