SCHEMBL12840914

SCHEMBL12840914

CN(C)C/C=C/C(=O)N1CCC(S)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.39
CDK14 O94921 1/20 0.39
CCNY Q8ND76 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
FGFR2 P21802 3/20 0.38
BTK Q06187 4/20 0.38
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
EGFR P00533 3/20 0.36
LCK P06239 1/20 0.36
ITK Q08881 1/20 0.36

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
SCHEMBL26018895 0.90 JAK3 (0.42) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL12841131 0.85 JAK3 (0.42) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL17244275 0.85 HDAC1 (0.41) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL462207 0.85 ALDH1A1 (0.44) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL24244462 0.82 MAPT (0.41) JAK3CDK14CCNYEGFR
SCHEMBL18455437 0.82 JAK3 (0.41) JAK3EGFR
SCHEMBL30072903 0.82 JAK3 (0.41) JAK3EGFR
SCHEMBL18909694 0.82 BTK (0.39) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL19054740 0.82 BTK (0.39) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL19190232 0.81 JAK3 (0.41) JAK3EGFR

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-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed