SCHEMBL4492597

SCHEMBL4492597

CS(=O)(=O)c1nn2c(NC3CC3)nc(S(=O)(=O)Cc3ccccc3)nc2c1CCCCC#N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CSNK2A2 P19784 2/20 0.33
RORC P51449 2/20 0.32
KCNH2 Q12809 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4111581 0.82 CSNK2A1 (0.35) POLBCSNK2A2RORCRIPK1
SCHEMBL4492591 0.77 CSNK2A1 (0.34) CSNK2A2RORC
Benzene SCHEMBL4492595 0.73 CSNK2A1 (0.36) CSNK2A2
SCHEMBL4492593 0.69 CSNK2A1 (0.35) CSNK2A2KCNH2
SCHEMBL19742642 0.60 CSNK2A1 (0.51) CSNK2A2KCNH2
SCHEMBL11077476 0.56 SIGMAR1 (0.52)
SCHEMBL972063 0.56 SIGMAR1 (0.52)
SCHEMBL11805105 0.56 SIGMAR1 (0.52)
SCHEMBL5988344 0.56 SIGMAR1 (0.52)
SCHEMBL8903029 0.56 SIGMAR1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517882-B2 Protein kinase inhibitors POLARIS GROUP (CN) 2009-04-14 US disclosed