SCHEMBL2716591

SCHEMBL2716591

Cc1cccc2nc(CCN3C(=O)c4ccccc4C3=O)c(Br)c(=O)n12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
BACE1 P56817 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 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
SCHEMBL2715326 0.79 PIK3CD (0.51) MAPTPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL890677 0.77 HTT (0.50) MAPTPKMHTTALDH1A1LMNA
SCHEMBL890602 0.77 HTT (0.57) MAPTPKMHTTALDH1A1SMN1; SMN2
SCHEMBL890479 0.72 HTT (0.43) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL890805 0.71 HTT (0.44) MAPTPKMHTTALDH1A1LMNA
SCHEMBL890492 0.69 PIK3CD (0.56) MAPTHTTALDH1A1SMN1; SMN2BACE1
SCHEMBL890562 0.68 HTT (0.53) MAPTPKMHTTALDH1A1SMN1; SMN2
SCHEMBL18364643 0.67 MAPT (0.52) MAPTPKMALDH1A1SMN1; SMN2LMNA
SCHEMBL890653 0.67 PIK3CD (0.57) MAPTPKMHTTALDH1A1SMN1; SMN2
SCHEMBL16585327 0.67 PIK3CD (0.45) PKMHTTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015042497-A2 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed