SCHEMBL2486733

SCHEMBL2486733

CCNC(=O)c1ccccc1N(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
BRD4 O60885 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31424918 0.84 SMN1; SMN2 (0.48) KMT2ATSHRHTTALDH1A1HPGD
SCHEMBL26444538 0.84 GAA (0.50) KMT2ATSHRHTTBRD4ALDH1A1
SCHEMBL959908 0.84 CTSD (0.50) KMT2ATSHRHTTALDH1A1HPGD
SCHEMBL2486331 0.84 TSHR (0.58) L3MBTL1KMT2ATSHRHTTBRD4
SCHEMBL31483721 0.81 HTT (0.64) L3MBTL1KMT2ATSHRHTTBRD4
SCHEMBL26417076 0.81 HTT (0.64) L3MBTL1KMT2ATSHRHTTBRD4
SCHEMBL10708923 0.80 TP53 (0.41) KMT2ATSHRHTTALDH1A1HPGD
SCHEMBL20621120 0.80 MEN1 (0.51) L3MBTL1KMT2AHTTALDH1A1HPGD
SCHEMBL166160 0.80 TP53 (0.61) L3MBTL1KMT2ATSHRHTTALDH1A1
SCHEMBL7223362 0.79 KMT2A (0.44) L3MBTL1KMT2ATSHRHTTBRD4

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-2365809-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-09-21 EP disclosed
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed