SCHEMBL30349372

SCHEMBL30349372

Cc1nc2ccc(Br)c(F)c2n1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DHFR P00374 1/20 0.31
SLC2A1 P11166 1/20 0.31
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 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
SCHEMBL25157447 1.00 ACACB (0.39) ACACBCSNK1ECLK1CLK2CLK3
SCHEMBL22152219 0.83 ACACB (0.37) ACACB
SCHEMBL22052040 0.78 ACACB (0.38) ACACBDYRK1ACYP11B2
SCHEMBL4081070 0.77 CSNK1E (0.36) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL21795775 0.70 CDK4 (0.35) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL30889010 0.68 CDK4 (0.36) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL21522918 0.68 CDK4 (0.36) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL22156336 0.67 ACSS2 (0.35) ACACBCSNK1ECLK1CLK2CLK3
SCHEMBL12853410 0.67 FABP4 (0.48) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL12831721 0.67 CRHR1 (0.37) CSNK1ECLK1CLK2CLK3GSK3B

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 disclosed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed