SCHEMBL8192245

SCHEMBL8192245

O=C1Nc2ccc(C(=O)N3CCCCC3)cc2C1=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL8192238 1.00 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8193545 0.94 HPGD (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8193547 0.94 HPGD (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8176956 0.93 GAA (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8176952 0.93 GAA (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL17976406 0.92 GAA (0.48) GAAHTTRAB9AMEN1LMNA
SCHEMBL7980994 0.92 GAA (0.48) GAAHTTRAB9AMEN1LMNA
SCHEMBL7982079 0.89 ALDH1A1 (0.51) GAAHTTRAB9AMEN1LMNA
SCHEMBL6984507 0.89 HTT (0.50) GAAHTTRAB9AMEN1LMNA
SCHEMBL6321821 0.88 GAA (0.48) GAAHTTRAB9AMEN1LMNA

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
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO claimed
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed