SCHEMBL30399558

SCHEMBL30399558

CN1CCN(c2cc(Nc3cnc4[nH]cc(-c5ccc6ncnn6c5)c4c3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
IL2 P60568 3/20 0.43
MAP4K1 Q92918 3/20 0.43
CLK1 P49759 3/20 0.43
MAP4K4 O95819 2/20 0.43
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
TDO2 P48775 1/20 0.40
TNIK Q9UKE5 3/20 0.39
CDK2 P24941 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
FLT3 P36888 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39

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
SCHEMBL26177423 1.00 DYRK1A (0.49) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL26177424 0.88 DYRK1A (0.49) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL30399079 0.88 DYRK1A (0.49) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL26175648 0.87 MAP4K1 (0.51) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL25157505 0.87 DYRK1A (0.67) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL30347751 0.87 DYRK1A (0.67) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL30399239 0.85 DYRK1A (0.50) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL26177410 0.85 DYRK1A (0.50) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL26177455 0.85 DYRK1A (0.57) DYRK1ACLK2CLK3IL2MAP4K1
SCHEMBL30400559 0.82 MAP4K1 (0.64) IL2MAP4K1MAP4K4TDO2TNIK

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-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 EP claimed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO claimed