SCHEMBL24459046

SCHEMBL24459046

C=CS(=O)(=O)N1CC[C@@H](N2CC(C#Cc3c(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc4n3C)C2)[C@@H](O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.50
▸ LCK P06239 4/20 0.42
▸ KDR P35968 4/20 0.42
▸ TEK Q02763 4/20 0.42
▸ SRC P12931 2/20 0.42
▸ BLK P51451 3/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ERBB2 P04626 2/20 0.41
▸ RET P07949 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ ITK Q08881 2/20 0.41
▸ ERBB4 Q15303 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ TEC P42680 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ BMX P51813 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ PRKD3 O94806 1/20 0.41

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
SCHEMBL24458580 0.91 BTK (0.43) BTKLCKKDRTEKSRC
SCHEMBL31523830 0.91 BTK (0.43) BTKLCKKDRTEKSRC
SCHEMBL31523856 0.90 BTK (0.49) BTKLCKKDRTEKSRC
SCHEMBL24458899 0.90 BTK (0.55) BTKLCKKDRTEKSRC
SCHEMBL24459131 0.87 BTK (0.53) BTKLCKKDRSRCBLK
SCHEMBL24459101 0.87 BTK (0.53) BTKLCKKDRSRCBLK
SCHEMBL24458483 0.87 BTK (0.53) BTKLCKKDRSRCBLK
SCHEMBL24458634 0.87 BTK (0.40) BTKLCKKDRTEKSRC
SCHEMBL31523865 0.87 BTK (0.40) BTKLCKKDRTEKSRC
SCHEMBL24458675 0.84 BTK (0.54) BTKLCKKDRSRCBLK

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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