SCHEMBL17425899

SCHEMBL17425899

C=C(C)[Si](C)(C)OC1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ncc(-c4cccc(NC(=O)OCc5ccccc5)c4C)c23)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.38
JAK2 O60674 3/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
KIT P10721 1/20 0.36
CDK2 P24941 1/20 0.36
TEC P42680 1/20 0.36
TXK P42681 1/20 0.36
BMX P51813 1/20 0.36
ITK Q08881 1/20 0.36
SCN9A Q15858 1/20 0.34

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
SCHEMBL17425875 0.95 SCN9A (0.35) BTKJAK2LCKLYNKIT
SCHEMBL9983687 0.92 BTK (0.38) BTKJAK2LCKLYNKIT
SCHEMBL9982693 0.87 JAK2 (0.41) BTKJAK2LCKLYNKIT
SCHEMBL9983464 0.87 BTK (0.35) BTKJAK2LCKLYNKIT
SCHEMBL14860110 0.85 BTK (0.34) BTKJAK2LCKLYNKIT
SCHEMBL17425889 0.83 BTK (0.36) BTKJAK2LCKLYNKIT
SCHEMBL9983728 0.82 KDM4E (0.39) BTKJAK2
SCHEMBL9983329 0.82 KIT (0.40) BTKJAK2KIT
SCHEMBL9983901 0.80 TP53 (0.40) BTKKIT
SCHEMBL9983764 0.80 BTK (0.43) BTKJAK2LCKLYNKIT

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
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed