SCHEMBL13153479

SCHEMBL13153479

CN[C@H]1CCN(c2nc3c(Cl)cnn3c(N)c2Br)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 19/20 0.45
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL11930853 0.84 AKT1 (0.39) HRH4HRH3
SCHEMBL14051055 0.80 HRH4 (0.39) HRH4PIM1PIM3HRH3KCNH2
SCHEMBL14050837 0.78 HRH4 (0.34) HRH4PIM1PIM3HRH3HRH2
SCHEMBL13153140 0.77 HRH4 (0.53) HRH4HRH3
SCHEMBL14545860 0.75 HRH4 (0.34) HRH4PIM1PIM3HRH3HRH2
SCHEMBL15393807 0.74 CHEK1 (0.36) HRH4PIM1PIM3HRH3HRH2
SCHEMBL11930804 0.74 CHEK1 (0.35) HRH4PIM1PIM3HRH3HRH2
SCHEMBL11930800 0.73 CHEK1 (0.36) HRH4PIM1PIM3HRH3HRH2
SCHEMBL15393810 0.72 AKT1 (0.39) HRH4HRH3KCNH2
SCHEMBL15393817 0.72 AKT1 (0.39) HRH4HRH3KCNH2

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-2010124009-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2010-10-28 — — WO disclosed
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