SCHEMBL30349022

SCHEMBL30349022

FC(F)(F)C1(CNc2ncc3c(-c4ccc5ncncc5c4)c[nH]c3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.47
▸ DYRK1A Q13627 8/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ CLK3 P49761 2/20 0.38
▸ BRD4 O60885 2/20 0.35
▸ CLK1 P49759 2/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ MAP3K11 Q16584 3/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ FGFR4 P22455 1/20 0.30

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
SCHEMBL25212385 1.00 TDO2 (0.47) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL30348120 0.88 TDO2 (0.49) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL25192974 0.88 TDO2 (0.49) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL30347202 0.87 DYRK1A (0.51) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL25157722 0.87 DYRK1A (0.51) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL25156992 0.86 TDO2 (0.47) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL31568810 0.86 TDO2 (0.47) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL25211921 0.86 TDO2 (0.49) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL25156955 0.86 DYRK1A (0.39) TDO2DYRK1ACLK2CLK3BRD4
SCHEMBL30348664 0.86 DYRK1A (0.39) TDO2DYRK1ACLK2CLK3BRD4

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
EP-4415818-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP claimed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO claimed
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