SCHEMBL19636170

SCHEMBL19636170

C=CC(=O)N1CCCCC12CC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TET3 O43151 2/20 0.33
KMT2A Q03164 2/20 0.33
FBXL19 Q6PCT2 2/20 0.33
CXXC5 Q7LFL8 2/20 0.33
KDM2B Q8NHM5 2/20 0.33
CXXC4 Q9H2H0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET1 Q8NFU7 1/20 0.33

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
SCHEMBL16075244 0.78 HRH3 (0.32)
SCHEMBL16078761 0.78 KDM4E (0.34) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL19595596 0.77 JAK3 (0.32) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL25365469 0.74 MEN1 (0.32) KMT2A
SCHEMBL31394980 0.73 CNR2 (0.33) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL24821408 0.73 TET3 (0.32) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL31599560 0.72 LTA4H (0.31)
SCHEMBL15007869 0.72
SCHEMBL20738738 0.72 JAK3 (0.40) KMT2A
SCHEMBL16380184 0.71 ALDH1A1 (0.33)

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-2017198050-A1 5-AMINOPYRAZOLE CARBOXAMIDE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 WO disclosed