SCHEMBL5897648

SCHEMBL5897648

CN(C)CCNc1c[c]cc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 7/20 0.40
▸ PIK3CA P42336 5/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ PIK3CG P48736 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL5897416 0.88 KMT2A (0.39) PIK3CBPIK3CAIRAK4PIK3R1KMT2A
SCHEMBL7683687 0.83 PIK3CB (0.39) PIK3CBPIK3CAPIK3CDKMT2AALDH1A1
SCHEMBL5897067 0.82 ALDH1A1 (0.43) PIK3CBPIK3CAPIK3R1KMT2AALDH1A1
SCHEMBL5897222 0.82 ALDH1A1 (0.44) PIK3CBPIK3CAALDH1A1GLASYK
SCHEMBL7683991 0.80 ALDH1A1 (0.43) PIK3CBPIK3CAALDH1A1GLASYK
SCHEMBL5897076 0.80 KDM4E (0.46) KMT2AALDH1A1GLAHRH3CYP2C19
SCHEMBL5897116 0.77 PIK3CB (0.37) PIK3CBPIK3CAPIK3CDPIK3R1KMT2A
SCHEMBL1089064 0.72 ACHE (0.65) PIK3CBPIK3CAPIK3CDPIK3R1ALDH1A1
SCHEMBL4781313 0.70 KMT2A (0.51) PIK3CBKMT2AALDH1A1LMNAPKM
SCHEMBL5897129 0.68 HRH4 (0.55) PIK3CBKMT2AALDH1A1HRH3CRHBP

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
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 — — US disclosed
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