SCHEMBL13606253

SCHEMBL13606253

Bc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.82
EGFR P00533 16/20 0.80
ITK Q08881 8/20 0.80
JAK3 P52333 2/20 0.60

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
SCHEMBL2352426 0.90 BTK (1.00) BTKEGFRITKJAK3
SCHEMBL2230183 0.90 BTK (1.00) BTKEGFRITKJAK3
SCHEMBL13606336 0.89 EGFR (1.00) BTKEGFRITKJAK3
SCHEMBL2350876 0.89 EGFR (1.00) BTKEGFRITKJAK3
SCHEMBL12518710 0.88 BTK (0.84) BTKEGFRITKJAK3
SCHEMBL28080977 0.88 BTK (0.88) BTKEGFRITKJAK3
SCHEMBL12518706 0.87 EGFR (1.00) BTKEGFRITKJAK3
SCHEMBL13165493 0.87 BTK (0.82) BTKEGFRITKJAK3
SCHEMBL13165494 0.86 BTK (0.84) BTKEGFRITKJAK3
SCHEMBL14769280 0.85 EGFR (0.81) BTKEGFRITK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed