SCHEMBL14977397

SCHEMBL14977397

O=C(NC1CCCc2c1cnn2-c1ccc(O)cc1)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.71
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL18825171 0.93 DHODH (0.78) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977153 0.89 DHODH (0.68) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977788 0.88 DHODH (0.69) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977794 0.86 DHODH (0.74) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14985369 0.84 DHODH (0.67) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977777 0.84 GAA (0.73) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825131 0.83 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825168 0.83 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825164 0.83 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL18825169 0.83 DHODH (1.00) DHODHGAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925318-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2015-10-07 EP disclosed
EP-2782570-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2014-10-01 EP disclosed
WO-2014089048-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2014-06-12 WO disclosed
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 WO disclosed