SCHEMBL18568906

SCHEMBL18568906

CN(Sc1ccsc1C(N)=O)c1cccc2cc(-c3nccs3)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CDC7 O00311 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TGFBR1 P36897 1/20 0.30
CHEK2 O96017 1/20 0.30

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
SCHEMBL18569102 0.91 PTPRC (0.33) ABL1BCR
SCHEMBL18568661 0.91 ABL1 (0.31) ABL1BCR
SCHEMBL18569107 0.89 CYP1A1 (0.33) ABL1BCRCYP1A1CYP1A2CYP1B1
SCHEMBL18569117 0.84 TUBB4A (0.30)
SCHEMBL18568959 0.83
SCHEMBL18569000 0.83 RIPK1 (0.38) ABL1BCR
SCHEMBL18568953 0.83 DGAT1 (0.30)
SCHEMBL18568915 0.83
SCHEMBL18568936 0.82
SCHEMBL18569008 0.81 ACMSD (0.32)

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-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed