SCHEMBL22737590

SCHEMBL22737590

CN1CC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)[C@H](F)C2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.68
▸ NUDT14 O95848 2/20 0.68
▸ NUDT5 Q9UKK9 2/20 0.68
▸ LCK P06239 4/20 0.66
▸ SRC P12931 2/20 0.66
▸ KDR P35968 2/20 0.66
▸ TEK Q02763 1/20 0.66
▸ LYN P07948 2/20 0.64
▸ EGFR P00533 3/20 0.56
▸ ITK Q08881 2/20 0.56
▸ TEC P42680 2/20 0.55
▸ TXK P42681 2/20 0.55
▸ BMX P51813 2/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ SLC22A3 O75751 1/20 0.55
▸ LATS1 O95835 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ FYN P06241 1/20 0.55

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
SCHEMBL24197163 0.91 BTK (0.73) BTKNUDT14NUDT5LCKSRC
SCHEMBL22737557 0.91 BTK (0.73) BTKNUDT14NUDT5LCKSRC
SCHEMBL22737365 0.91 BTK (0.73) BTKNUDT14NUDT5LCKSRC
SCHEMBL24197165 0.91 BTK (0.73) BTKNUDT14NUDT5LCKSRC
SCHEMBL22737367 0.91 BTK (0.73) BTKNUDT14NUDT5LCKSRC
SCHEMBL29439150 0.90 BTK (0.64) BTKNUDT14NUDT5LCKSRC
SCHEMBL29439241 0.90 BTK (0.64) BTKNUDT14NUDT5LCKSRC
SCHEMBL29439159 0.90 BTK (0.64) BTKNUDT14NUDT5LCKSRC
SCHEMBL22720742 0.90 BTK (0.64) BTKNUDT14NUDT5LCKSRC
SCHEMBL22720920 0.90 BTK (0.64) BTKNUDT14NUDT5LCKSRC

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-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 — — WO disclosed
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