SCHEMBL30346933

SCHEMBL30346933

CCn1nnc2ccc(-c3c[nH]c4nc(NCC5(C)CC5)ncc34)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 16/20 0.41
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ CDK9 P50750 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
SCHEMBL25157455 1.00 TDO2 (0.41) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL25156953 0.90 TDO2 (0.41) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL30347948 0.90 TDO2 (0.41) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL30347834 0.90 TDO2 (0.40) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL25218380 0.90 TDO2 (0.40) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL25199262 0.89 TDO2 (0.40) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL30346463 0.89 TDO2 (0.40) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL25199125 0.88 TDO2 (0.40) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL25157009 0.88 TDO2 (0.44) TDO2CLK2CLK3DYRK1ABRD4
SCHEMBL30347759 0.88 TDO2 (0.44) TDO2CLK2CLK3DYRK1ABRD4

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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