SCHEMBL5205370

SCHEMBL5205370

CC(C)OC(=O)Nc1ccc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TOP1 P11387 2/20 0.48
TOP2A P11388 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
SLCO2B1 O94956 1/20 0.47
GLA P06280 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
BCL2L1 Q07817 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
DGAT1 O75907 6/20 0.47
SOAT1 P35610 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5191764 0.91 SIRT2 (0.52) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL2977841 0.86 TNKS (0.48) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL6126326 0.85 ACHE (0.58) ALDH1A1HPGDMEN1KMT2ADGAT1
SCHEMBL6120531 0.82 NPC1 (0.60) ALDH1A1HPGDMAPTMEN1RECQL
SCHEMBL1664926 0.82 ACHE (0.54) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL6126388 0.81 ACHE (0.54) ALDH1A1SMN1; SMN2HPGDMAPTACHE
SCHEMBL8769900 0.81 ACHE (0.54) ALDH1A1SMN1; SMN2HPGDMAPTACHE
SCHEMBL5200725 0.81 NR2E3 (0.59)
SCHEMBL5189560 0.79 DGAT1 (0.47) ALDH1A1SMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL5211404 0.79 KMT2A (0.58) SMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP claimed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed