SCHEMBL680237

SCHEMBL680237

C=C(C(C)C)[C@H](CCNC1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.48
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
BCL2A1 Q16548 1/20 0.39
MCHR1 Q99705 1/20 0.38
OPRL1 P41146 6/20 0.38
P2RX7 Q99572 4/20 0.36
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
PTH1R Q03431 1/20 0.34

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
SCHEMBL679786 0.88 MEN1 (0.48) MEN1KMT2AMITFAKT1AKT2
SCHEMBL681303 0.88 MEN1 (0.36) MEN1KMT2AMITFOPRL1
SCHEMBL681244 0.88 MEN1 (0.50) MEN1KMT2AMITFAKT1AKT2
SCHEMBL681300 0.88 AKT3 (0.47) MEN1KMT2AMITFAKT1AKT2
SCHEMBL12188441 0.85 MEN1 (0.47) MEN1KMT2AMITFAKT1AKT2
SCHEMBL10263300 0.83 MEN1 (0.44) MEN1KMT2AMITFAKT1AKT2
SCHEMBL681761 0.81 AKT3 (0.41) MEN1KMT2AMITFAKT1AKT2
SCHEMBL681164 0.81 AKT3 (0.41) MEN1KMT2AMITFAKT1AKT2
SCHEMBL681566 0.78 MEN1 (0.40) MEN1KMT2AMITFAKT1AKT2
SCHEMBL679641 0.78 AKT3 (0.49) MEN1KMT2AMITFAKT1AKT2

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