SCHEMBL20161828

SCHEMBL20161828

C=C/C=N\N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)c4cccc(CN(C)C)c4)s3)c(C)cc2C)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.79
TXK P42681 17/20 0.79
JAK3 P52333 15/20 0.79
ITK Q08881 5/20 0.68

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
SCHEMBL20161826 0.91 BTK (0.96) BTKTXKJAK3ITK
SCHEMBL20161628 0.89 BTK (1.00) BTKTXKJAK3ITK
SCHEMBL20139546 0.84 BTK (1.00) BTKTXKJAK3ITK
SCHEMBL29933053 0.84 BTK (1.00) BTKTXKJAK3ITK
SCHEMBL24467247 0.82 BTK (1.00) BTKTXKJAK3ITK
SCHEMBL20161543 0.82 BTK (1.00) BTKTXKJAK3ITK
SCHEMBL23366101 0.82 TXK (0.84) BTKTXKJAK3ITK
SCHEMBL24467303 0.82 BTK (0.86) BTKTXKJAK3ITK
SCHEMBL23365987 0.82 BTK (1.00) BTKTXKJAK3ITK
SCHEMBL20161536 0.81 BTK (1.00) BTKTXKJAK3ITK

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