SCHEMBL807841

SCHEMBL807841

C[C@H](O)C(=O)N1CCC(c2nnc3cnc4c(n23)=CC(Br)CC=4)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL15131814 0.74 MTOR (0.36) ROCK2CYP3A4
SCHEMBL797022 0.72 PRKDC (0.46)
SCHEMBL797021 0.72 PRKDC (0.46)
SCHEMBL15131816 0.68 PRKDC (0.45)
SCHEMBL15131817 0.68 PRKDC (0.45)
SCHEMBL15131813 0.67 PRKDC (0.54)
SCHEMBL15123762 0.65 PRKDC (0.48)
SCHEMBL796977 0.65 PRKDC (0.48)
SCHEMBL4538881 0.58 JAK2 (0.69) ROCK2
SCHEMBL3318469 0.56 MEN1 (0.48) ROCK2CYP3A4

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-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed