SCHEMBL22243254

SCHEMBL22243254

N=C(c1ccc(Oc2c(F)cccc2F)cc1)c1c(N)ncnc1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.46
TNK2 Q07912 3/20 0.42
KCNH2 Q12809 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL22243270 0.89 BTK (0.47) BTKTNK2KCNH2EGFR
SCHEMBL24041268 0.88 BTK (0.58) BTKKCNH2EGFR
SCHEMBL22243243 0.88 BTK (0.51) BTKTNK2KCNH2EGFR
SCHEMBL24041280 0.86 BTK (0.43) BTKTNK2KCNH2EGFR
SCHEMBL22243291 0.85 BTK (0.42) BTKTNK2KCNH2
SCHEMBL24041253 0.82 BTK (0.49) BTK
SCHEMBL22243292 0.82 BTK (0.45) BTKEGFR
SCHEMBL24041345 0.80 BTK (0.48) BTKKCNH2EGFR
SCHEMBL25478136 0.80 BTK (0.46) BTKTNK2
SCHEMBL22243239 0.80 BTK (0.53) BTKKCNH2EGFR

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