SCHEMBL8229022

SCHEMBL8229022

C=C(N)[C@H](CN1CCN(C(C)C)CC1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 16/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ESRRB O95718 2/20 0.38
▸ ESRRG P62508 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ NTSR1 P30989 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
SCHEMBL2738669 0.89 IGF1R (0.44) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL12294203 0.85 IGF1R (0.43) IGF1RMEN1KMT2AESRRBESRRG
SCHEMBL12188348 0.82 IGF1R (0.45) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL680797 0.81 IGF1R (0.44) IGF1RMEN1KMT2AHSP90AA1NTSR1
SCHEMBL8225734 0.76 RPS6KB1 (0.38) —
SCHEMBL8217371 0.76 MC4R (0.48) MEN1KMT2ANTSR1
SCHEMBL8226052 0.76 MC4R (0.48) MEN1KMT2ANTSR1
SCHEMBL12194515 0.73 MC4R (0.46) MEN1KMT2ANTSR1
SCHEMBL12294176 0.72 ALDH1A1 (0.46) MEN1KMT2ANTSR1
SCHEMBL8226410 0.70 HRH3 (0.46) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — WO disclosed
Send feedback