SCHEMBL24458488

SCHEMBL24458488

C=CC(=O)N1CC[C@H](N2CC(C#Cc3c(-c4cccc(Cl)c4OC)c4c(N)ncnc4n3C)C2)[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 5/20 0.41
▸ FGFR4 P22455 5/20 0.41
▸ FGFR2 P21802 7/20 0.41
▸ BTK Q06187 7/20 0.40
▸ KDR P35968 3/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ ITK Q08881 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.38

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
SCHEMBL31523771 1.00 FGFR1 (0.41) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL24458487 0.91 FGFR2 (0.45) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL31523728 0.89 FGFR4 (0.47) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL24459074 0.89 FGFR4 (0.47) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL24458378 0.86 FGFR1 (0.42) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL24458503 0.86 RET (0.45) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL31523837 0.86 RET (0.45) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL24458531 0.86 RET (0.45) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL24458475 0.86 FGFR2 (0.42) FGFR1FGFR4FGFR2BTKKDR
SCHEMBL29552790 0.86 FGFR2 (0.42) FGFR1FGFR4FGFR2BTKKDR

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
Send feedback