SCHEMBL3657178

SCHEMBL3657178

CC(C)(C)OC(=O)NC1(C(=O)N(CCCCO)c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
STS P08842 3/20 0.40
DRD2 P14416 5/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ANO1 Q5XXA6 1/20 0.36
GHSR Q92847 1/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
KDM1A O60341 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
SCHEMBL3655526 0.77 AKT1 (0.51)
SCHEMBL389415 0.76 KIT (0.42) MEN1KMT2ASTSDRD2HTT
SCHEMBL1001879 0.75 SMN1; SMN2 (0.57) MEN1KMT2ASTSDRD2HTT
SCHEMBL7018924 0.74 F10 (0.46) STS
SCHEMBL391467 0.73 KIT (0.46) MEN1KMT2ASTSHTTSMN1; SMN2
SCHEMBL391466 0.73 KIT (0.46) MEN1KMT2ASTSHTTSMN1; SMN2
SCHEMBL3489718 0.73 TSHR (0.45) MEN1KMT2ASTSGHSRKDM1A
SCHEMBL3650884 0.73 AKT1 (0.52)
SCHEMBL3654802 0.72 AKT1 (0.49)
SCHEMBL3649754 0.72 MT-CO2 (0.43) MEN1KMT2A

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
EP-2201012-A1 PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS AstraZeneca AB (SE) 2010-06-30 EP disclosed
WO-2009047563-A1 PYRROLO [2, 3 -D] PYRIMIDIN DERIVATIVES AS PROTEIN KINASE B INHIBITORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed