SCHEMBL19635191

SCHEMBL19635191

N#CN1CC(n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c3c(N)ncnc32)CCC12CC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.54
EGFR P00533 5/20 0.49
SRC P12931 1/20 0.49
BMX P51813 1/20 0.49
NR4A3 Q92570 1/20 0.49
LCK P06239 1/20 0.49
LYN P07948 1/20 0.49
BLK P51451 1/20 0.46
NUDT14 O95848 1/20 0.46
NUDT5 Q9UKK9 1/20 0.46

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
SCHEMBL19635669 0.86 BTK (0.66) BTKEGFRSRCBMXNR4A3
SCHEMBL19635808 0.85 BTK (0.67) BTKEGFRSRCBMXNR4A3
SCHEMBL19635807 0.85 BTK (0.67) BTKEGFRSRCBMXNR4A3
SCHEMBL19635217 0.85 BTK (0.68) BTKEGFRSRCBMXNR4A3
SCHEMBL19635218 0.85 BTK (0.68) BTKEGFRSRCBMXNR4A3
SCHEMBL19635788 0.85 BTK (0.68) BTKEGFRSRCBMXNR4A3
SCHEMBL19635827 0.84 BTK (0.56) BTKEGFRLCKBLK
SCHEMBL19635791 0.84 BTK (0.56) BTKEGFRLCKBLK
SCHEMBL19635664 0.84 EGFR (0.62) BTKEGFRSRCBMXNR4A3
SCHEMBL19635665 0.84 EGFR (0.62) BTKEGFRSRCBMXNR4A3

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-2017198049-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 WO disclosed