SCHEMBL30399726

SCHEMBL30399726

O=C(Nc1cncc(F)c1)c1cnc2[nH]cc(-c3ccc4c(c3)C3(CCNCC3)CC4=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.51
▸ CLK1 P49759 11/20 0.51
▸ DYRK1B Q9Y463 2/20 0.47
▸ DYRK2 Q92630 1/20 0.43
▸ PRKD3 O94806 5/20 0.39
▸ MAP4K4 O95819 5/20 0.39
▸ NTRK1 P04629 5/20 0.39
▸ AXL P30530 5/20 0.39
▸ FLT4 P35916 5/20 0.39
▸ FLT3 P36888 5/20 0.39
▸ CLK2 P49760 5/20 0.39
▸ MAP4K2 Q12851 5/20 0.39
▸ CAMK2B Q13554 5/20 0.39
▸ CAMK2G Q13555 5/20 0.39
▸ CAMK2D Q13557 5/20 0.39
▸ PTK6 Q13882 5/20 0.39
▸ NTRK3 Q16288 5/20 0.39
▸ PKN2 Q16513 5/20 0.39
▸ MINK1 Q8N4C8 5/20 0.39
▸ PRKD2 Q9BZL6 5/20 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
SCHEMBL26175183 1.00 DYRK1A (0.51) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL26175184 0.90 DYRK1A (0.54) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL30398170 0.90 DYRK1A (0.54) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL30399669 0.86 DYRK1A (0.45) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL26176371 0.86 DYRK1A (0.45) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL30399136 0.85 DYRK1A (0.49) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL26175186 0.85 DYRK1A (0.49) DYRK1ACLK1DYRK1BDYRK2PRKD3
SCHEMBL26174721 0.84 KIT (0.39) DYRK1ACLK1DYRK1BDYRK2AXL
SCHEMBL30399503 0.83 PAK1 (0.43) DYRK1ACLK1DYRK1BDYRK2GSK3B
SCHEMBL26175103 0.83 PAK1 (0.43) DYRK1ACLK1DYRK1BDYRK2GSK3B

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 4 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
EP-4415817-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064349-A1 1H-PYRROLO[2,3-B]PYRIDINES AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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