SCHEMBL22604617

SCHEMBL22604617

C=CC(=O)Nc1cccc(Sc2nc(Nc3ccccc3)ncc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.59
BTK Q06187 8/20 0.59
ITK Q08881 4/20 0.59
JAK3 P52333 2/20 0.57
MAP3K7 O43318 1/20 0.54
MAP2K1 Q02750 1/20 0.54
FLT3 P36888 1/20 0.52
BLK P51451 1/20 0.52

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
SCHEMBL22604799 0.92 BTK (0.62) EGFRBTKITKJAK3MAP3K7
SCHEMBL13165510 0.89 BTK (0.69) EGFRBTKITKJAK3FLT3
SCHEMBL30854787 0.85 MAP3K7 (0.74) EGFRBTKJAK3MAP3K7MAP2K1
SCHEMBL29352639 0.85 MAP3K7 (0.74) EGFRBTKJAK3MAP3K7MAP2K1
SCHEMBL93523 0.85 MAP3K7 (0.74) EGFRBTKJAK3MAP3K7MAP2K1
SCHEMBL28059266 0.79 EGFR (0.77) EGFRBTKITK
SCHEMBL10127876 0.77 JAK3 (0.80) EGFRBTKITKJAK3FLT3
SCHEMBL13169978 0.75 JAK3 (0.70) EGFRBTKJAK3MAP3K7MAP2K1
SCHEMBL3696372 0.74 ITK (0.60) EGFRBTKITK
SCHEMBL2352426 0.74 BTK (1.00) EGFRBTKITKJAK3

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-2020219963-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-10-29 WO disclosed