SCHEMBL681624

SCHEMBL681624

C=C(C(C)C)[C@H](CN(C)C(C)C)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.40
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
SCHEMBL681322 0.84 AOC3 (0.41) POLB
SCHEMBL679725 0.84 ALOX5 (0.41) PYCR1ALOX5CYP1A2KMT2AMEN1
SCHEMBL12194484 0.84 AOC3 (0.41) POLB
SCHEMBL684691 0.83 CYP1A2 (0.42) PYCR1ALOX5CYP1A2KMT2AMEN1
SCHEMBL2738812 0.81 ALOX5 (0.47) PYCR1ALOX5CYP1A2KMT2AMEN1
SCHEMBL681415 0.78 CHRM2 (0.43) PYCR1ALOX5CYP1A2OPRM1
SCHEMBL681194 0.77 LSS (0.40) PYCR1ALOX5CYP1A2KMT2AMEN1
SCHEMBL680150 0.77 HTR2A (0.43) ALOX5CYP1A2KMT2A
SCHEMBL12193966 0.76 POLB (0.35) ALOX5CYP1A2POLBOPRD1
SCHEMBL680223 0.74 ALOX5 (0.42) PYCR1ALOX5CYP1A2KMT2A

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
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed