SCHEMBL17527474

SCHEMBL17527474

Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCN(C(=O)CNc5cccc(F)c5)C4)ncnc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.52
PIK3CD O00329 3/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
PIK3CA P42336 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL17527472 1.00 BTK (0.52) BTKPIK3CDKMT2AGFERPIK3CA
SCHEMBL17545848 0.92 BTK (0.63) BTKPIK3CDPIK3CA
SCHEMBL17527451 0.92 BTK (0.49) BTKPIK3CDKMT2AGFERPIK3R1
SCHEMBL17527452 0.92 BTK (0.49) BTKPIK3CDKMT2AGFERPIK3R1
SCHEMBL17545843 0.91 BTK (0.64) BTKPIK3CDKMT2APIK3CAPIK3R1
SCHEMBL18421256 0.90 BTK (0.64) BTK
SCHEMBL17545831 0.90 BTK (0.64) BTK
SCHEMBL17527477 0.89 BTK (0.44) BTKPIK3CDPIK3CAPIK3R1
SCHEMBL17527478 0.89 BTK (0.44) BTKPIK3CDPIK3CAPIK3R1
SCHEMBL17545834 0.88 BTK (0.61) BTK

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
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed