SCHEMBL13362541

SCHEMBL13362541

O=C(Nc1ccnc(N2CCCC2)c1)C1CCCc2ccc(-c3ccc(F)c(C(F)(F)F)c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.40
▸ MPL P40238 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ITGB2 P05107 11/20 0.38
▸ ICAM1 P05362 11/20 0.38
▸ ITGAL P20701 11/20 0.38
▸ RPS6KB1 P23443 4/20 0.37
▸ AKT1 P31749 3/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL12242032 0.89 KDR (0.37) MPLAKT1MALT1KDM4EALDH1A1
SCHEMBL12242027 0.86 KDM4E (0.38) MALT1KDM4EALDH1A1LMNA
SCHEMBL12242030 0.86 PIM2 (0.39) KMOGSK3BITGB2ICAM1ITGAL
SCHEMBL12242035 0.85 MPL (0.42) MPLKDM4EALDH1A1LMNA
SCHEMBL12242042 0.85 JAK2 (0.44) MAPK14RPS6KB1KDM4EALDH1A1LMNA
SCHEMBL12242103 0.85 LMNA (0.44) KMOKDM4EALDH1A1LMNA
SCHEMBL12242021 0.84 LMNA (0.39) MAPK14KDM4EALDH1A1LMNA
SCHEMBL12242024 0.84 LMNA (0.43) MAPK14KDM4EALDH1A1LMNA
SCHEMBL12242022 0.84 KDM4E (0.45) MAPK14KDM4EALDH1A1LMNA
SCHEMBL12242029 0.83 PDE4A (0.41) GSK3BMAPK14

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
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO disclosed
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