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) —
SCHEMBL15131817 0.68 PRKDC (0.45) —
SCHEMBL15131816 0.68 PRKDC (0.45) —
SCHEMBL15131813 0.67 PRKDC (0.54) —
SCHEMBL796977 0.65 PRKDC (0.48) —
SCHEMBL15123762 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
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