SCHEMBL28320237

SCHEMBL28320237

C=CC(=O)Nc1cccc(-c2ccc(NC=O)c3[nH]ncc23)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.54
JAK3 P52333 3/20 0.48
MAP2K7 O14733 3/20 0.48
AURKA O14965 1/20 0.48
PLCG1 P19174 5/20 0.46
ITK Q08881 2/20 0.45
EGFR P00533 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL16334895 0.82 BTK (0.71) BTKJAK3MAP2K7AURKA
SCHEMBL18499568 0.82 BTK (0.54) BTKJAK3MAP2K7AURKAPLCG1
SCHEMBL28320056 0.82 BTK (0.51) BTKJAK3MAP2K7AURKAPLCG1
SCHEMBL28320196 0.78 KIT (0.39) JAK3AURKAITK
SCHEMBL28321217 0.73 BTK (0.51) BTKJAK3PLCG1JAK1
SCHEMBL24150242 0.70 BTK (0.64) BTKJAK3MAP2K7AURKAPLCG1
SCHEMBL30191052 0.70 BTK (0.64) BTKJAK3MAP2K7AURKAPLCG1
SCHEMBL12965715 0.70 BTK (1.00) BTKJAK3MAP2K7AURKAPLCG1
SCHEMBL28320003 0.68 BTK (0.73) BTKJAK3PLCG1JAK1
SCHEMBL16336935 0.67 BTK (1.00) 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
CN-105530932-B Primary formamide as BTK inhibitor 艾伯维公司 2019-09-27 CN disclosed