SCHEMBL20161504

SCHEMBL20161504

COc1cc(C)c(CCC=O)cc1C(=O)N1CCB(C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.41
JAK3 P52333 9/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TXK P42681 8/20 0.36
ITK Q08881 8/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL24467200 0.88 L3MBTL3 (0.34) BTKTXKITK
SCHEMBL27089747 0.84 KMT2A (0.56) BTKJAK3MEN1KMT2ATXK
SCHEMBL24467259 0.83 MEN1 (0.38) BTKJAK3MEN1KMT2ATXK
SCHEMBL20139704 0.78 BTK (0.43) BTKJAK3MEN1KMT2ATXK
SCHEMBL20161948 0.72 GAA (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL24467293 0.68 TAAR1 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL27089746 0.66 KMT2A (0.52) BTKJAK3MEN1KMT2ATXK
SCHEMBL18830589 0.64 HTR2A (0.37) MEN1KMT2AALDH1A1KDM4E
SCHEMBL20139588 0.62 JAK3 (0.40) BTKJAK3MEN1KMT2ATXK
SCHEMBL31213431 0.62 JAK3 (0.40) BTKJAK3MEN1KMT2ATXK

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-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed