SCHEMBL21386783

SCHEMBL21386783

C=CC(=O)N1CCC[C@@H](Nc2ncnc(N)c2C(=N)c2ccc(Oc3ccccc3)nc2F)C1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.67
EGFR P00533 1/20 0.61
BLK P51451 1/20 0.55
JAK3 P52333 4/20 0.48
HCK P08631 2/20 0.47
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
SCHEMBL21386655 0.96 BTK (0.60) BTKEGFRBLKHCK
SCHEMBL21386788 0.93 BTK (0.59) BTKEGFRBLKJAK3JAK1
SCHEMBL21386703 0.92 BTK (0.58) BTKEGFRBLKJAK3JAK1
SCHEMBL21386776 0.91 BTK (0.57) BTKEGFRBLKJAK3JAK1
SCHEMBL21386725 0.91 BTK (0.67) BTKEGFRBLKJAK3HCK
SCHEMBL21386763 0.89 BTK (0.58) BTKEGFRBLKJAK3JAK1
SCHEMBL21386752 0.88 BTK (0.53) BTKEGFRBLK
SCHEMBL21386778 0.88 BTK (0.66) BTKEGFRBLKJAK3JAK1
SCHEMBL21386773 0.88 BTK (0.52) BTKEGFRBLKJAK3
SCHEMBL21386772 0.87 BTK (0.51) BTKEGFRBLKJAK3JAK1

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