SCHEMBL24458515

SCHEMBL24458515

C=CC(=O)N1CCC(N2CC(C#Cc3c(-c4ccc(Oc5cccc(C)n5)cc4)c4c(N)ncnc4n3C)C2)C(F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.45
▸ BLK P51451 3/20 0.43
▸ EGFR P00533 4/20 0.42
▸ TEC P42680 3/20 0.42
▸ BMX P51813 3/20 0.42
▸ TXK P42681 2/20 0.42
▸ LYN P07948 2/20 0.42
▸ FGFR2 P21802 2/20 0.42
▸ ITK Q08881 2/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ LATS1 O95835 1/20 0.42
▸ NUDT14 O95848 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CSF1R P07333 1/20 0.42

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
SCHEMBL24458776 1.00 BTK (0.45) BTKBLKEGFRTECBMX
SCHEMBL31523883 1.00 BTK (0.45) BTKBLKEGFRTECBMX
SCHEMBL31523832 1.00 BTK (0.45) BTKBLKEGFRTECBMX
SCHEMBL24458683 1.00 BTK (0.45) BTKBLKEGFRTECBMX
SCHEMBL31523828 1.00 BTK (0.45) BTKBLKEGFRTECBMX
SCHEMBL24458416 0.93 BTK (0.44) BTKBLKEGFRTECBMX
SCHEMBL31523807 0.93 BTK (0.44) BTKBLKEGFRTECBMX
SCHEMBL24458923 0.91 BTK (0.54) BTKBLKEGFRTECBMX
SCHEMBL24458756 0.91 BTK (0.54) BTKBLKEGFRTECBMX
SCHEMBL24458423 0.91 BTK (0.54) BTKBLKEGFRTECBMX

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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