SCHEMBL18535110

SCHEMBL18535110

CCCCC(C)(C)C(=O)OCn1cc(C(=O)OC)c2nc(Br)cnc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.33
AR P10275 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
GRK6 P43250 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL14737356 0.89 ABCB11 (0.33)
SCHEMBL28111553 0.75 LMNA (0.37)
SCHEMBL14751396 0.72 ABCB11 (0.30)
SCHEMBL14737765 0.70 ABCB11 (0.30)
SCHEMBL20598293 0.70 PDE10A (0.33)
SCHEMBL14744566 0.70
SCHEMBL21678405 0.68 DGAT1 (0.41)
SCHEMBL31070127 0.68 DGAT1 (0.41)
SCHEMBL1370138 0.68 DGAT1 (0.38)
SCHEMBL18535271 0.66 ABL1 (0.42)

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed