SCHEMBL21386767

SCHEMBL21386767

C=CC(=O)N1CCCC(Nc2ncnc(N)c2C(=N)c2ccc(Oc3ccc(F)c(F)c3)nc2)C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.61
EGFR P00533 3/20 0.52
JAK3 P52333 5/20 0.49
BLK P51451 1/20 0.46
ITK Q08881 1/20 0.46
JAK1 P23458 1/20 0.46

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
SCHEMBL21386780 0.92 BTK (0.66) BTKEGFRJAK3BLKITK
SCHEMBL21386733 0.91 BTK (0.62) BTKEGFRJAK3BLKITK
SCHEMBL21386736 0.89 BTK (0.61) BTKEGFRJAK3ITKJAK1
SCHEMBL21386770 0.89 BTK (0.66) BTKEGFRJAK3BLKITK
SCHEMBL21386777 0.89 BTK (0.75) BTKEGFRJAK3BLKJAK1
SCHEMBL21386722 0.89 BTK (0.63) BTKEGFRJAK3ITKJAK1
SCHEMBL21386699 0.87 BTK (0.59) BTKEGFRJAK3ITKJAK1
SCHEMBL21386782 0.85 BTK (0.67) BTKEGFRITK
SCHEMBL23734991 0.83 BTK (0.60) BTKEGFRJAK3JAK1
SCHEMBL21386739 0.83 BTK (0.54) BTKEGFRJAK3ITK

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-3543239-A1 SELECTIVE BRUTON'S TYROSINE KINASE INHIBITOR AND USE THEREOF Hangzhou Hertz Pharmaceutical Co., Ltd. (CN) 2019-09-25 EP disclosed