SCHEMBL5029586

SCHEMBL5029586

NC(=O)Nc1cccc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
NTRK1 P04629 1/20 0.44
NR3C2 P08235 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
CFD P00746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GBA1 P04062 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9413728 0.86 MEN1 (0.55) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL1192307 0.82 GRM5 (0.57) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL5141429 0.81 GAA (0.52) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL5629436 0.81 GRM5 (0.51) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL1432533 0.81 KDM4E (0.61) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL31078384 0.81 GRM5 (0.44) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL2780923 0.81 L3MBTL1 (0.44) GRM5HPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL25307005 0.79 GRM5 (0.43) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL10463825 0.78 NR3C2 (0.44) GRM5HPGDALDH1A1KDM4EHSD17B10
SCHEMBL13403439 0.78 XIAP (0.62) GRM5HPGDALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN claimed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN claimed
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
EP-2818473-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-31 EP disclosed
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed