SCHEMBL289663

SCHEMBL289663

CCOC(=O)c1nc(C)c(-c2ccc(-c3cc4ccccc4s3)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
TNIK Q9UKE5 1/20 0.42
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
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 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
SCHEMBL288852 0.80 KDM4E (0.59) JAK2JAK3DHODHNPC1RAB9A
SCHEMBL299236 0.77 MAPT (0.42) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL290424 0.76 CDC7 (0.52) JAK2JAK3TNIKFOSJUN
SCHEMBL289667 0.75 JAK2 (0.49) JAK2JAK3TNIKFOSJUN
SCHEMBL6500653 0.75 ALDH1A1 (0.55) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL289682 0.74 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL289614 0.74 KDM4E (0.64) JAK2JAK3DHODHNPC1RAB9A
SCHEMBL3399928 0.73 CDC25B (0.49) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL289540 0.73 KDM4E (0.54) JAK2JAK3TNIKDHODHNPC1
SCHEMBL290062 0.73 JAK2 (0.46) JAK2JAK3FOSJUNNFKB1

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