SCHEMBL27680969

SCHEMBL27680969

CN(CCO)c1cc(C(N)=O)nc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAPEPLD Q6IQ20 3/20 0.54
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52
▸ PIK3CA P42336 11/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ PIK3CB P42338 1/20 0.40

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
SCHEMBL3117364 0.89 PIK3CA (0.59) NAPEPLDPIK3CA
SCHEMBL3112884 0.88 PIK3CA (0.52) NAPEPLDHTTLMNAPOLBHSD17B10
SCHEMBL3103448 0.79 NAPEPLD (0.49) NAPEPLDHTTLMNAPOLBHSD17B10
SCHEMBL3102408 0.78 NAPEPLD (0.56) NAPEPLDHTTPOLBPIK3CAKDM4E
SCHEMBL11926388 0.77 NAPEPLD (0.55) NAPEPLDHTTPIK3CAALDH1A1
SCHEMBL3106073 0.77 PIK3CA (0.62) NAPEPLDPIK3CA
SCHEMBL3103084 0.77 PIK3CA (0.52) NAPEPLDHTTLMNAPOLBHSD17B10
SCHEMBL11926389 0.76 NAPEPLD (0.53) NAPEPLDPIK3CAKDM4E
SCHEMBL11926395 0.76 NAPEPLD (0.53) NAPEPLDPIK3CAMAPK1
SCHEMBL3105942 0.75 MAPK1 (0.51) NAPEPLDHTTLMNAPOLBHSD17B10

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
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 — — CN claimed
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