SCHEMBL31006512

SCHEMBL31006512

Nc1ncnc2ccc(-c3c[nH]c4ncccc34)cc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.66
DYRK1B Q9Y463 1/20 0.64
CCNT1 O60563 1/20 0.58
GSK3B P49841 1/20 0.58
CDK9 P50750 1/20 0.58

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
SCHEMBL29283821 1.00 DYRK1A (0.66) DYRK1ADYRK1BCCNT1GSK3BCDK9
SCHEMBL12281648 0.83 DYRK1B (0.73) DYRK1ADYRK1BGSK3BCDK9
SCHEMBL30233270 0.83 DYRK1B (0.73) DYRK1ADYRK1BGSK3BCDK9
SCHEMBL26174562 0.81 DYRK1A (0.67) DYRK1ADYRK1BCCNT1GSK3BCDK9
SCHEMBL29283838 0.80 DYRK1A (0.58) DYRK1ADYRK1BGSK3B
SCHEMBL31006597 0.80 DYRK1A (1.00) DYRK1ACCNT1GSK3BCDK9
SCHEMBL29283910 0.80 DYRK1A (1.00) DYRK1ACCNT1GSK3BCDK9
SCHEMBL21318714 0.79 MAP4K4 (0.67)
SCHEMBL26174558 0.78 DYRK1B (0.69) DYRK1ADYRK1BGSK3BCDK9
SCHEMBL20292829 0.78 DYRK1B (1.00) DYRK1ADYRK1BCCNT1GSK3BCDK9

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
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN claimed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN disclosed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN disclosed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN disclosed