SCHEMBL30101111

SCHEMBL30101111

C=CC(=O)N1CC[C@H](c2nc(-c3cc4ccccc4o3)c3c(N)nccn23)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.61
▸ FGFR4 P22455 5/20 0.55
▸ FGFR2 P21802 1/20 0.55
▸ FGFR1 P11362 5/20 0.54
▸ RAF1 P04049 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ BTK Q06187 9/20 0.47

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
SCHEMBL30101135 0.85 FGFR4 (0.58) TNK2FGFR4FGFR2FGFR1BTK
SCHEMBL6940435 0.83 TNK2 (0.85) TNK2FGFR1
SCHEMBL30101106 0.82 FGFR4 (0.56) TNK2FGFR4FGFR2FGFR1RAF1
SCHEMBL24251869 0.78 FGFR4 (0.62) TNK2FGFR4FGFR2FGFR1BTK
SCHEMBL28911435 0.78 FGFR4 (0.62) TNK2FGFR4FGFR2FGFR1BTK
SCHEMBL30101123 0.78 EGFR (0.55) TNK2FGFR4FGFR2FGFR1RAF1
SCHEMBL21044814 0.76 TNK2 (0.70) TNK2BTK
SCHEMBL12903810 0.76 TNK2 (0.70) TNK2BTK
SCHEMBL4365581 0.76 TNK2 (1.00) TNK2
SCHEMBL6944442 0.74 RAF1 (0.62) TNK2FGFR1RAF1SRCBTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433190-B Preparation method and application of irreversible heterocyclic compound FGFR inhibitor 药雅科技(上海)有限公司 2024-09-20 — — CN disclosed
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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