SCHEMBL30400428

SCHEMBL30400428

CN1CCN(c2cc(Nc3cnc4[nH]cc(-c5ccn6nccc6c5)c4c3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.52
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
CLK1 P49759 4/20 0.46
MAP4K1 Q92918 4/20 0.44
IL2 P60568 3/20 0.44
CDK2 P24941 2/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
FLT3 P36888 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK9 P50750 1/20 0.39
TDO2 P48775 1/20 0.38
TNIK Q9UKE5 6/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL26177429 1.00 DYRK1A (0.52) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL30399079 0.87 DYRK1A (0.49) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL26177424 0.87 DYRK1A (0.49) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL26177455 0.87 DYRK1A (0.57) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL26175652 0.87 MAP4K1 (0.52) DYRK1ACLK2CLK3MAP4K1IL2
SCHEMBL25157841 0.86 DYRK1A (0.70) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL30346907 0.86 DYRK1A (0.70) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL30398330 0.84 DYRK1A (0.54) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL26177445 0.84 DYRK1A (0.54) DYRK1ACLK2CLK3CLK1MAP4K1
SCHEMBL30400453 0.84 DYRK1A (0.46) DYRK1ACLK2CLK3CLK1MAP4K1

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