SCHEMBL20779484

SCHEMBL20779484

Cn1cc(-c2cc(S(C)(=N)=O)ccc2NC2CCCCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.51
MAPK8 P45983 2/20 0.51
BRD4 O60885 3/20 0.46
AXL P30530 7/20 0.46
MERTK Q12866 2/20 0.46
TYRO3 Q06418 6/20 0.45
IRAK1 P51617 3/20 0.44
JAK2 O60674 1/20 0.43
KCNH2 Q12809 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
IRAK4 Q9NWZ3 2/20 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
SCHEMBL29901795 0.91 BRD4 (0.55) TTKMAPK8BRD4AXLMERTK
SCHEMBL20766946 0.91 BRD4 (0.55) TTKMAPK8BRD4AXLMERTK
SCHEMBL20779658 0.77 AXL (0.49) TTKMAPK8AXLMERTKTYRO3
SCHEMBL20766987 0.72 BRD4 (0.54) BRD4
SCHEMBL29901808 0.72 BRD4 (0.54) BRD4
SCHEMBL20384218 0.72 BRD4 (0.86) BRD4
SCHEMBL20384186 0.72 BRD4 (0.86) BRD4
SCHEMBL20384543 0.72 BRD4 (0.86) BRD4
SCHEMBL29901813 0.72 BRD4 (0.56) BRD4IRAK1IRAK4
SCHEMBL20766196 0.72 BRD4 (0.56) BRD4IRAK1IRAK4

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
WO-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed