SCHEMBL289397

SCHEMBL289397

CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)nc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CDC7 O00311 8/20 0.52
DBF4 Q9UBU7 8/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPM8 Q7Z2W7 6/20 0.47
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
DHODH Q02127 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL290390 0.87 CDC7 (0.61) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL289925 0.86 SMN1; SMN2 (0.55) LMNAKDM4EALDH1A1MAPTNPC1
SCHEMBL289614 0.85 KDM4E (0.64) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL290427 0.84 CDC7 (0.57) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL290184 0.83 CDC7 (0.56) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL290020 0.81 KDM4E (0.56) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL288852 0.81 KDM4E (0.59) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL289540 0.79 KDM4E (0.54) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL290095 0.78 KDM4E (0.53) LMNACDC7DBF4KDM4EALDH1A1
SCHEMBL290167 0.78 KDM4E (0.56) LMNACDC7DBF4KDM4EALDH1A1

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
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed