SCHEMBL2913806

SCHEMBL2913806

COC(N)Cc1ccc2c(c1)CCCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
TP53 P04637 3/20 0.39
KIF11 P52732 2/20 0.38
CRBN Q96SW2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL16370735 0.85 MAOB (0.46) MAOB
SCHEMBL2907966 0.78 MAPT (0.53) MAPTLMNATHRBPKMMAOA
SCHEMBL2056398 0.78 KIF11 (0.56) MAPTLMNATHRBPKMMAOA
SCHEMBL10264823 0.75 MAPT (0.50) MAPTLMNATHRBPKMMAOA
SCHEMBL21024967 0.74 MAPT (0.49) MAPTLMNATHRBPKMMAOA
SCHEMBL16233050 0.74 KIF11 (0.48) MAPTLMNAPKMMAOAMAOB
SCHEMBL22255816 0.73 CRBN (0.46) MAPTTHRBPKMMAOAMAOB
SCHEMBL5766779 0.72 MAPT (0.50) MAPTLMNATHRBPKMMAOA
SCHEMBL19410064 0.72 MAPT (0.50) MAPTPKMTP53KIF11
SCHEMBL10333350 0.72 MAPT (0.46) MAPTLMNATHRBPKMMAOA

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed