SCHEMBL25157464

SCHEMBL25157464

c1cnc2cc(-c3c[nH]c4nc(NC5CCC6(CCO6)CC5)ncc34)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.41
▸ DYRK1A Q13627 5/20 0.39
▸ CLK2 P49760 2/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1B Q9Y463 2/20 0.37
▸ RET P07949 3/20 0.37
▸ CDK7 P50613 4/20 0.35
▸ CDC7 O00311 3/20 0.35
▸ PIM1 P11309 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ HIPK2 Q9H2X6 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL25522919 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25522921 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30406605 1.00 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25522665 0.91 DYRK1A (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30407345 0.91 DYRK1A (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25519916 0.87 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30346467 0.87 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30348752 0.87 DYRK1A (0.51) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL25157004 0.87 DYRK1A (0.51) BRD4DYRK1ACLK2CLK3DYRK1B
SCHEMBL30406830 0.87 BRD4 (0.41) BRD4DYRK1ACLK2CLK3DYRK1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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