SCHEMBL30101130

SCHEMBL30101130

CC#CC(=O)N1CC[C@H](c2nc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)nccn23)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 8/20 0.68
▸ FGFR2 P21802 1/20 0.68
▸ FGFR1 P11362 7/20 0.58
▸ FGFR3 P22607 2/20 0.58
▸ BTK Q06187 9/20 0.52
▸ TEC P42680 2/20 0.48
▸ TXK P42681 2/20 0.48
▸ BMX P51813 2/20 0.48

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
SCHEMBL27188377 1.00 FGFR4 (0.68) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL27188370 1.00 FGFR4 (0.68) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL27188456 0.91 FGFR4 (0.71) FGFR4FGFR2FGFR1FGFR3
SCHEMBL27188458 0.91 FGFR4 (0.71) FGFR4FGFR2FGFR1FGFR3
SCHEMBL27188437 0.88 FGFR4 (0.86) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL30101089 0.88 FGFR4 (0.86) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL27188441 0.88 FGFR4 (0.86) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL27188670 0.87 FGFR1 (0.53) FGFR4FGFR2FGFR1FGFR3
SCHEMBL27188671 0.87 FGFR1 (0.53) FGFR4FGFR2FGFR1FGFR3
SCHEMBL30515867 0.86 FGFR4 (0.51) FGFR4FGFR2FGFR1FGFR3BTK

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
CN-115433190-A Preparation method and application of irreversible heterocyclic compound FGFR inhibitor 药雅科技(上海)有限公司 2022-12-06 — — CN disclosed
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