SCHEMBL22243298

SCHEMBL22243298

COc1cccc(Oc2ccc(C(=N)c3c(N)ncnc3NC3CCC(CO)OC3)cc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.47
LCK P06239 1/20 0.41
YES1 P07947 1/20 0.41
PTK6 Q13882 1/20 0.41

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
SCHEMBL22243337 0.87 BTK (0.44) BTK
SCHEMBL22243334 0.87 BTK (0.44) BTK
SCHEMBL22243271 0.86 BTK (0.41) BTK
SCHEMBL22243291 0.85 BTK (0.42) BTKLCK
SCHEMBL22243275 0.84 BTK (0.41) BTK
SCHEMBL24041337 0.81 BTK (0.40) BTKLCK
SCHEMBL24041317 0.78 BTK (0.35) BTKLCK
SCHEMBL25466292 0.76 CYP2C19 (0.46) BTKLCK
SCHEMBL24041280 0.76 BTK (0.43) BTKLCK
SCHEMBL22243339 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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