SCHEMBL26108112

SCHEMBL26108112

Cn1c(C2CCC3(CC2)CCN(C=CC=O)CC3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 11/20 0.40
▸ KDR P35968 11/20 0.40
▸ TEK Q02763 11/20 0.40
▸ BTK Q06187 10/20 0.39
▸ NUDT14 O95848 1/20 0.37
▸ NUDT5 Q9UKK9 1/20 0.37
▸ BLK P51451 3/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ERBB2 P04626 2/20 0.37
▸ RET P07949 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ ITK Q08881 2/20 0.37
▸ ERBB4 Q15303 2/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ CHEK2 O96017 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
SCHEMBL26113306 0.87 BTK (0.40) LCKKDRTEKBTKBLK
SCHEMBL30582627 0.84 BTK (0.49) LCKKDRBTKNUDT14NUDT5
SCHEMBL26109125 0.84 LCK (0.44) LCKKDRTEKBTKNUDT14
SCHEMBL26109060 0.82 BTK (0.35) LCKKDRTEKBTKNUDT14
SCHEMBL26107761 0.80 BTK (0.35) LCKKDRTEKBTKNUDT14
SCHEMBL26587238 0.79 LCK (0.49) LCKKDRTEKBTKNUDT14
SCHEMBL22676631 0.77 BTK (0.53) LCKKDRBTKNUDT14NUDT5
SCHEMBL26108768 0.77 BTK (0.36) LCKKDRTEKBTKNUDT14
SCHEMBL30582591 0.76 LCK (0.42) LCKKDRTEKBTKNUDT14
SCHEMBL26108281 0.76 LCK (0.42) LCKKDRTEKBTKNUDT14

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-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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