SCHEMBL24459135

SCHEMBL24459135

CN(C)C/C=C/C(=O)N1C[C@@H]2[C@@H](C#Cc3c(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc4n3C)[C@@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.58
▸ EGFR P00533 7/20 0.58
▸ LCK P06239 5/20 0.58
▸ ITK Q08881 4/20 0.58
▸ FGFR2 P21802 3/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ KDR P35968 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
SCHEMBL24458422 0.94 BTK (0.59) BTKEGFRLCKITKFGFR2
SCHEMBL31523787 0.93 BTK (0.50) BTKEGFRLCKITKFGFR2
SCHEMBL24458671 0.93 BTK (0.50) BTKEGFRLCKITKFGFR2
SCHEMBL24458719 0.93 BTK (0.51) BTKEGFRLCKITKFGFR2
SCHEMBL31523971 0.93 BTK (0.51) BTKEGFRLCKITKFGFR2
SCHEMBL31523733 0.91 FGFR2 (0.52) BTKEGFRLCKITKFGFR2
SCHEMBL24458664 0.91 FGFR2 (0.52) BTKEGFRLCKITKFGFR2
SCHEMBL31523955 0.91 BTK (0.48) BTKEGFRLCKITKFGFR2
SCHEMBL24459065 0.91 BTK (0.48) BTKEGFRLCKITKFGFR2
SCHEMBL24458640 0.90 BTK (0.60) BTKEGFRLCKITKFGFR2

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-2022109551-A1 SRC INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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