SCHEMBL24458413

SCHEMBL24458413

Cn1c(C#CC2CCN(C(=O)/C=C/CN3CC(O)C3)CC2)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.53
▸ EGFR P00533 8/20 0.53
▸ LCK P06239 6/20 0.53
▸ ITK Q08881 3/20 0.53
▸ JAK3 P52333 1/20 0.49
▸ KDR P35968 2/20 0.46
▸ TEK Q02763 2/20 0.46
▸ FGFR1 P11362 2/20 0.44
▸ FGFR4 P22455 2/20 0.44
▸ FGFR3 P22607 2/20 0.44
▸ FGFR2 P21802 2/20 0.44

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
SCHEMBL24458509 0.97 BTK (0.52) BTKEGFRLCKITKJAK3
SCHEMBL24458383 0.94 BTK (0.52) BTKEGFRLCKITKJAK3
SCHEMBL24459023 0.94 BTK (0.48) BTKEGFRLCKITKJAK3
SCHEMBL24458390 0.93 BTK (0.56) BTKEGFRLCKITKJAK3
SCHEMBL24458906 0.92 BTK (0.51) BTKEGFRLCKITKJAK3
SCHEMBL24458565 0.91 BTK (0.64) BTKEGFRLCKITKJAK3
SCHEMBL24458801 0.91 BTK (0.54) BTKEGFRLCKITKJAK3
SCHEMBL24458471 0.91 BTK (0.53) BTKEGFRLCKITKJAK3
SCHEMBL31523877 0.90 BTK (0.51) BTKEGFRLCKITKJAK3
Formic Acid SCHEMBL31523827 0.89 BTK (0.52) BTKEGFRLCKITKJAK3

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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