SCHEMBL20161917

SCHEMBL20161917

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)CN(C)Cc4cc(OC)c(C(=O)N5CCCN(C(=O)C=C)CC5)cc4Sc4cnc(NC(=O)C(C)C)s4)s3)c(C)cc2OC)CC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.81
TXK P42681 15/20 0.81
ITK Q08881 8/20 0.81
JAK3 P52333 15/20 0.69

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
SCHEMBL20161942 0.90 BTK (1.00) BTKTXKITKJAK3
SCHEMBL20161954 0.88 ITK (1.00) BTKTXKITKJAK3
SCHEMBL20161552 0.84 ITK (0.80) BTKTXKITKJAK3
SCHEMBL24467279 0.83 ITK (0.83) BTKTXKITKJAK3
SCHEMBL20161689 0.82 BTK (1.00) BTKTXKITKJAK3
SCHEMBL20161551 0.82 BTK (0.83) BTKTXKITKJAK3
SCHEMBL20161893 0.81 JAK3 (0.85) BTKTXKITKJAK3
SCHEMBL27089726 0.81 BTK (0.89) BTKTXKITKJAK3
SCHEMBL20161488 0.80 BTK (1.00) BTKTXKITKJAK3
SCHEMBL20161688 0.80 BTK (1.00) BTKTXKITKJAK3

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