SCHEMBL3830469

SCHEMBL3830469

NC(=O)c1c(NC2CCNC2)sc(C(=O)c2cc(-c3ccccc3)no2)c1Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.39
KCNH2 Q12809 3/20 0.39
SYK P43405 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKB Q96GD4 1/20 0.37
RPS6KB1 P23443 2/20 0.36
PDPK1 O15530 1/20 0.36
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK2AP1 O14519 1/20 0.34

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
SCHEMBL3816399 0.88 CHEK1 (0.41) CHEK1KCNH2RPS6KB1PDPK1CHRNB2
SCHEMBL3837254 0.86 USP30 (0.39) CHEK1KCNH2CHRNB2CHRNA4USP30
SCHEMBL3818264 0.79 USP30 (0.41) CHEK1KCNH2MAPK1CHRNB2CHRNA4
SCHEMBL3816591 0.77 LMNA (0.40) CHEK1JAK1JAK3USP30KDM4E
SCHEMBL3851392 0.74 SMN1; SMN2 (0.39) JAK1JAK3KDM4ESMN1; SMN2
SCHEMBL4472754 0.72 KDM4E (0.41) USP30KDM4ESMN1; SMN2
SCHEMBL4474610 0.72 USP30 (0.43) CHEK1USP30SMN1; SMN2
SCHEMBL4467806 0.70 JAK3 (0.41) CHEK1JAK1JAK3USP30SMN1; SMN2
SCHEMBL4466084 0.70 USP30 (0.41) JAK1JAK3USP30SMN1; SMN2
SCHEMBL3818041 0.70 KDM4E (0.37) USP30KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742627-A4 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2009-08-26 EP disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO disclosed