SCHEMBL30348246

SCHEMBL30348246

CC(F)(F)CNc1ncc2c(-c3ccc4ncncc4c3)c[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.50
▸ DYRK1A Q13627 8/20 0.40
▸ CLK3 P49761 3/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CLK1 P49759 3/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ LATS1 O95835 1/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ AR P10275 1/20 0.34
▸ DYRK3 O43781 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ DYRK4 Q9NR20 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL25519967 1.00 TDO2 (0.50) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL25157609 0.94 TDO2 (0.50) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL30407329 0.94 TDO2 (0.50) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL25519972 0.92 TDO2 (0.52) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL25519960 0.92 TDO2 (0.52) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL25519991 0.87 TDO2 (0.47) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL30407103 0.87 TDO2 (0.47) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL30347844 0.86 TDO2 (0.55) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL25156876 0.86 TDO2 (0.55) TDO2DYRK1ACLK3CLK2BRD4
SCHEMBL25519982 0.86 TDO2 (0.50) TDO2DYRK1ACLK3CLK2BRD4

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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