SCHEMBL290062

SCHEMBL290062

CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)s2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TRPM8 Q7Z2W7 5/20 0.43
P2RY1 P47900 1/20 0.43
LMNA P02545 2/20 0.43
CDC7 O00311 5/20 0.42
DBF4 Q9UBU7 5/20 0.42
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 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
SCHEMBL20181224 0.91 KDM4E (0.46) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL20176200 0.87 KDM4E (0.50) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL288852 0.86 KDM4E (0.59) JAK2JAK3MEN1MAPTKMT2A
SCHEMBL290560 0.84 BCL2L1 (0.40) MAPTALDH1A1LMNA
SCHEMBL300086 0.79 KDM4E (0.49) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL289614 0.79 KDM4E (0.64) JAK2JAK3MEN1MAPTKMT2A
SCHEMBL290424 0.79 CDC7 (0.52) JAK2JAK3MAPTKDM4EALDH1A1
SCHEMBL5641718 0.78 CDC7 (0.68) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL299676 0.77 KDM4E (0.72) MEN1MAPTKMT2AKDM4EHSP90AA1
SCHEMBL289679 0.75 KDM4E (0.53) MEN1MAPTKMT2AKDM4EALDH1A1

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