SCHEMBL16472234

SCHEMBL16472234

C=C1N/C(=N/CC(=O)N2CCC(O)C2)C(c2ccc3[nH]ccc3c2)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.32
▸ FASN P49327 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ QPCT Q16769 2/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ JAK1 P23458 2/20 0.30
▸ TYK2 P29597 2/20 0.30
▸ JAK3 P52333 2/20 0.30

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
SCHEMBL5053565 0.93 QPCT (0.36) PIK3CDFASNQPCT
SCHEMBL14076518 0.91 PIK3CD (0.32) PIK3CDFASNTBK1QPCTJAK2
SCHEMBL14217747 0.89 QPCT (0.41) QPCT
SCHEMBL5053609 0.83 QPCT (0.44) QPCT
SCHEMBL14076563 0.83 QPCT (0.44) QPCT
SCHEMBL14076710 0.81 QPCT (0.48) QPCT
SCHEMBL5056669 0.81 QPCT (0.48) QPCT
SCHEMBL5062254 0.80 QPCT (0.51) QPCT
SCHEMBL14076609 0.80 QPCT (0.51) QPCT
SCHEMBL14217791 0.79 QPCT (0.41) QPCT

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-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
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