SCHEMBL2738604

SCHEMBL2738604

C[C@@H]1CN(C[C@H](C(N)=O)c2ccc(Cl)cc2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A9 P48067 4/20 0.38
NTSR1 P30989 1/20 0.38
MDM2 Q00987 1/20 0.36
MLNR O43193 2/20 0.36
CYP3A4 P08684 2/20 0.36
OPRD1 P41143 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2738460 1.00 MEN1 (0.39) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL12188597 0.88 BRD4 (0.40) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL683331 0.88 BRD4 (0.40) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL680790 0.86 MEN1 (0.38) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL681295 0.86 MEN1 (0.38) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL8223337 0.85 SMN1; SMN2 (0.43) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL17030315 0.85 KDM4E (0.42) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL8223319 0.85 SMN1; SMN2 (0.43) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL17030314 0.85 KDM4E (0.42) MEN1ALDH1A1THRBKMT2ASMN1; SMN2
SCHEMBL2738472 0.83 NTSR1 (0.41) MEN1ALDH1A1THRBKMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402325-B1 Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-08-26 EP disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 EP disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed