SCHEMBL29388440

SCHEMBL29388440

CCCN1CCC(c2cc(I)c3c(N)ncnn23)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 10/20 0.39
▸ PIK3CD O00329 2/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ TYRO3 Q06418 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ MERTK Q12866 1/20 0.35

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
SCHEMBL27315079 0.78 ACVRL1 (0.46) ACVRL1PIK3CD
SCHEMBL22132768 0.74 EGFR (0.45) ACVRL1PIK3CD
SCHEMBL22132863 0.74 RIPK1 (0.48) PIK3CDAXLMERTK
SCHEMBL22132905 0.74 RIPK1 (0.48) PIK3CDAXLMERTK
SCHEMBL22132930 0.74 RIPK1 (0.48) PIK3CDAXLMERTK
SCHEMBL22132770 0.73 ACVRL1 (0.41) ACVRL1PIK3CDPDE2ATYRO3AXL
SCHEMBL22132915 0.72 ACVRL1 (0.58) ACVRL1PIK3CDTYRO3
SCHEMBL22132857 0.71 RIPK1 (0.46) PDE2A
SCHEMBL19377685 0.70 TYRO3 (0.49) ACVRL1TYRO3AXLMERTK
SCHEMBL19377744 0.70 TYRO3 (0.50) ACVRL1TYRO3AXLMERTK

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-2022033532-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — WO disclosed
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