SCHEMBL30101089

SCHEMBL30101089

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

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 16/20 0.86
▸ FGFR2 P21802 2/20 0.86
▸ FGFR1 P11362 12/20 0.57
▸ FGFR3 P22607 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ BTK Q06187 3/20 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
SCHEMBL27188441 1.00 FGFR4 (0.86) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL27188437 1.00 FGFR4 (0.86) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL27188387 0.94 FGFR4 (0.76) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL30101139 0.94 FGFR4 (0.76) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL27188458 0.91 FGFR4 (0.71) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL27188456 0.91 FGFR4 (0.71) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL30516033 0.89 FGFR4 (0.69) FGFR4FGFR2FGFR1FGFR3KDR
SCHEMBL30101130 0.88 FGFR4 (0.68) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL27188377 0.88 FGFR4 (0.68) FGFR4FGFR2FGFR1FGFR3BTK
SCHEMBL27188370 0.88 FGFR4 (0.68) 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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