SCHEMBL2738669

SCHEMBL2738669

CC(C)N1CCN(C[C@@H](C(N)=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ CHRM1 P11229 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL8229022 0.89 IGF1R (0.44) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL12188348 0.88 IGF1R (0.45) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL8217371 0.86 MC4R (0.48) MEN1KMT2ANTSR1CHRM1ALDH1A1
SCHEMBL8226052 0.86 MC4R (0.48) MEN1KMT2ANTSR1CHRM1ALDH1A1
SCHEMBL680797 0.86 IGF1R (0.44) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL12294203 0.85 IGF1R (0.43) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL8226410 0.81 HRH3 (0.46) IGF1RALDH1A1
SCHEMBL2738529 0.80 SLC18A3 (0.44) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL12292609 0.78 MC4R (0.42) —
SCHEMBL2738510 0.76 PDE2A (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 — — WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 — — WO disclosed
WO-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 — — WO disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 — — EP disclosed
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 — — EP disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 — — WO disclosed
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