SCHEMBL4015772

SCHEMBL4015772

Nc1ccc2c(c1)NC(CC=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 3/20 0.35
GRIN2B Q13224 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CRBN Q96SW2 1/20 0.31
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL2482274 0.91 CA9 (0.45) CA9KDM4EMEN1GAAMAPT
SCHEMBL2484227 0.83 CMA1 (0.39) MTNR1A
SCHEMBL4017459 0.77 PNMT (0.42) GRIN2B
SCHEMBL15263464 0.77 CA9 (0.41) CA9KDM4EMEN1GAAMAPT
SCHEMBL27771607 0.76 CA9 (0.47) CA9KDM4EMEN1GAAMAPT
SCHEMBL12450086 0.76 PNMT (0.35) MTNR1ABRD4
SCHEMBL7140193 0.75 MTNR1A (0.34) CA9KDM4EMEN1GAAMAPT
SCHEMBL4967797 0.74 CA9 (0.34) CA9KDM4EMEN1GAAMAPT
SCHEMBL7399575 0.72 ITGB3 (0.57) CA9KDM4EMEN1GAAMAPT
SCHEMBL7399576 0.72 ITGB3 (0.57) CA9KDM4EMEN1GAAMAPT

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-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO disclosed