SCHEMBL22243271

SCHEMBL22243271

COc1cccc(Oc2ccc(C(=N)c3c(N)ncnc3NC3CCC(O)C3)cc2)c1F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.41
KCNH2 Q12809 1/20 0.33

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
SCHEMBL24041337 0.95 BTK (0.40) BTKKCNH2
SCHEMBL22243337 0.95 BTK (0.44) BTK
SCHEMBL22243334 0.95 BTK (0.44) BTK
SCHEMBL22243275 0.93 BTK (0.41) BTKKCNH2
SCHEMBL22243291 0.89 BTK (0.42) BTKKCNH2
SCHEMBL24041325 0.87 BTK (0.46) BTKKCNH2
SCHEMBL22243298 0.86 BTK (0.47) BTK
SCHEMBL22243283 0.84 BTK (0.55) BTKKCNH2
SCHEMBL24041317 0.84 BTK (0.35) BTK
SCHEMBL22243339 0.82 BTK (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912980-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR Minghui Pharmaceutical (Shanghai) Limited (CN) 2021-11-24 EP disclosed
WO-2020147798-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITOR 明慧医药(上海)有限公司 2020-07-23 WO disclosed