SCHEMBL787833

SCHEMBL787833

O=CC#Cc1ccc2[nH]nc(C3CCCCO3)c2c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL30823749 0.76 GSK3B (0.42) GSK3BPIM1PIM2
SCHEMBL30540792 0.73 RAB9A (0.42) PIM1PIM2
SCHEMBL3668219 0.71 NUDT1 (0.35) GSK3BPIM1PIM2
SCHEMBL5562287 0.69 KDM4E (0.41) PIM1PIM2
SCHEMBL14723066 0.64 PRKAG1 (0.33) GSK3B
SCHEMBL767097 0.63 RXRA (0.52) —
SCHEMBL5092967 0.62 POLB (0.31) —
SCHEMBL29705459 0.62 GRM4 (0.38) GSK3BPIM1PIM2
SCHEMBL19616539 0.62 CHUK (0.36) —
SCHEMBL19616876 0.62 PRKAB2 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037410-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
WO-2012037410-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 — — WO disclosed
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