SCHEMBL21386780

SCHEMBL21386780

C=CC(=O)N1CCC[C@@H](Nc2ncnc(N)c2C(=N)c2ccc(Oc3ccc(F)cc3)nc2)C1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.66
EGFR P00533 4/20 0.56
BLK P51451 1/20 0.55
JAK3 P52333 5/20 0.49
ITK Q08881 1/20 0.48
JAK1 P23458 1/20 0.47

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
SCHEMBL21386770 0.93 BTK (0.66) BTKEGFRBLKJAK3ITK
SCHEMBL21386777 0.93 BTK (0.75) BTKEGFRBLKJAK3JAK1
SCHEMBL21386767 0.92 BTK (0.61) BTKEGFRBLKJAK3ITK
SCHEMBL21386733 0.92 BTK (0.62) BTKEGFRBLKJAK3ITK
SCHEMBL21386722 0.91 BTK (0.63) BTKEGFRJAK3ITKJAK1
SCHEMBL21386736 0.90 BTK (0.61) BTKEGFRJAK3ITKJAK1
SCHEMBL21386699 0.89 BTK (0.59) BTKEGFRJAK3ITKJAK1
SCHEMBL21386782 0.88 BTK (0.67) BTKEGFRITK
SCHEMBL18877721 0.85 BTK (0.86) BTKEGFRBLKJAK3ITK
SCHEMBL14228143 0.85 BTK (0.86) BTKEGFRBLKJAK3ITK

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