SCHEMBL31219342

SCHEMBL31219342

C=CC(=O)N1CCC2(CC=C(c3c(-c4ccc(C5CC5)nc4)c4c(N)ncnc4n3C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.40
▸ BTK Q06187 5/20 0.39
▸ JAK2 O60674 6/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ EGFR P00533 7/20 0.39
▸ FGFR2 P21802 7/20 0.39
▸ NUDT14 O95848 1/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ FGFR1 P11362 2/20 0.37
▸ FGFR3 P22607 2/20 0.37
▸ FGFR4 P22455 1/20 0.37

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
SCHEMBL26587873 0.88 ITK (0.49) ITKBTKJAK2JAK3EGFR
SCHEMBL30582523 0.88 ITK (0.43) ITKBTKJAK2JAK3EGFR
SCHEMBL26104650 0.88 ITK (0.43) ITKBTKJAK2JAK3EGFR
SCHEMBL30582508 0.87 ITK (0.48) ITKBTKFGFR2FGFR1FGFR3
SCHEMBL30582524 0.87 NUDT14 (0.41) BTKJAK2JAK3EGFRFGFR2
SCHEMBL31219355 0.87 SRC (0.42) EGFR
SCHEMBL30582525 0.87 ITK (0.44) ITKBTKNUDT14
SCHEMBL30582513 0.87 ITK (0.44) ITKBTKNUDT14
SCHEMBL30582528 0.86 BTK (0.38) ITKBTKJAK2JAK3EGFR
SCHEMBL26587541 0.86 FGFR1 (0.47) BTKEGFRFGFR2NUDT14FGFR1

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-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN claimed
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
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