SCHEMBL13257569

SCHEMBL13257569

C/C=C/c1nc(-c2c(C)nn3ccccc23)sc1/C(=N/C)NC=N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 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
SCHEMBL955586 0.80 SMN1; SMN2 (0.40) VCP
SCHEMBL955587 0.80 SMN1; SMN2 (0.40) VCP
SCHEMBL955033 0.79 LMNA (0.34) VCP
SCHEMBL955032 0.79 LMNA (0.34) VCP
SCHEMBL955082 0.69
SCHEMBL16937954 0.69 KCNK13 (0.30)
SCHEMBL955083 0.69
SCHEMBL13256709 0.67 CDC7 (0.32)
SCHEMBL952954 0.66 TRPM8 (0.55)
SCHEMBL952277 0.65 SMN1; SMN2 (0.36) VCP

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-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed