SCHEMBL2944853

SCHEMBL2944853

CCN1C(=O)C(NC(=O)C(F)(F)F)CCc2c1ccc([N+](=O)[O-])c2OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
XIAP P98170 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CCKBR P32239 1/20 0.33
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
SCN9A Q15858 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2062625 0.86 F10 (0.37) F2F10PRSS1USP2LMNA
SCHEMBL2062292 0.78 ALDH1A1 (0.37) LMNAHTTALDH1A1MAPTMEN1
SCHEMBL2943806 0.78 ALDH1A1 (0.37) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2062766 0.76 ALDH1A1 (0.36) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2944324 0.76 ALDH1A1 (0.32) USP2GAAHTTALDH1A1MAPT
SCHEMBL2944325 0.73 GAA (0.32) LMNAGAAHTTALDH1A1MAPT
SCHEMBL2061895 0.72 POLB (0.38) LMNAKDM4EHTTALDH1A1MAPT
SCHEMBL2061639 0.72 HTR1A (0.38) USP2LMNAXIAPCCKBRALDH1A1
SCHEMBL2062552 0.71 USP2 (0.36) USP2GAAXIAPCCKBR
SCHEMBL2062829 0.71 ALK (0.40) LMNAGAAHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
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