SCHEMBL6998973

SCHEMBL6998973

O=C1Cc2c(ccc3nc(-c4ccccc4)sc23)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP2 O95551 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 3/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL6992129 0.78 ALDH1A1 (0.40) ALDH1A1TDP2SMN1; SMN2KDM4ELMNA
SCHEMBL5894170 0.77 ABL1 (0.36) KDM4ELMNADRD2DRD4DRD3
SCHEMBL6995364 0.70 ELANE (0.50) ALDH1A1SMN1; SMN2KDM4ELMNAMEN1
SCHEMBL9338678 0.68 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KDM4ELMNANFKB1
SCHEMBL5873762 0.68 MAP3K11 (0.40) KDM4ELMNADRD2DRD4DRD3
SCHEMBL28561318 0.68 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KDM4ELMNANFKB1
SCHEMBL1459965 0.66 GRIA1 (0.53) ALDH1A1TDP2SMN1; SMN2KDM4ELMNA
SCHEMBL18289479 0.66 AHR (0.50) KDM4ELMNADRD2DRD4DRD3
SCHEMBL16047379 0.66 CYP1A2 (0.56) TDP2DYRK1AAHRPDK2
SCHEMBL24476713 0.65 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4ELMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO claimed
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed