SCHEMBL29839396

SCHEMBL29839396

CNc1cc(Nc2ncc(C(=O)N3CCN(C)CC3)cc2OC)nc2[nH]cc(C(F)(F)F)c12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 13/20 0.69
▸ DYRK3 O43781 1/20 0.51
▸ CSNK1E P49674 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CLK3 P49761 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ LRRK2 Q5S007 6/20 0.46
▸ TTK P33981 1/20 0.44
▸ GRM5 P41594 1/20 0.42

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
SCHEMBL21611024 1.00 DYRK1A (0.69) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611038 0.93 DYRK1A (0.69) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611066 0.87 DYRK1A (0.80) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492983 0.87 DYRK1A (0.80) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611052 0.82 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492968 0.82 DYRK1A (1.00) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL29492976 0.81 DYRK1A (0.85) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611037 0.81 DYRK1A (0.85) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21738308 0.79 DYRK1A (0.62) DYRK1ADYRK3CSNK1ECLK1CLK2
SCHEMBL21611057 0.78 DYRK1A (0.84) DYRK1ADYRK3CSNK1ECLK1CLK2

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-3604304-B1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-09-07 — — EP claimed
EP-3604304-B1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2022-09-07 — — EP disclosed
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