SCHEMBL20041453

SCHEMBL20041453

CNC(=O)c1n[nH]c2ncc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.48
DYRK1B Q9Y463 7/20 0.40
DYRK1A Q13627 5/20 0.40
PAK1 Q13153 2/20 0.40
MAPK1 P28482 1/20 0.39
JAK2 O60674 3/20 0.38
CDK8 P49336 3/20 0.38
RET P07949 3/20 0.38
PDGFRA P16234 3/20 0.38
RPS6KA3 P51812 3/20 0.38
CDK5 Q00535 3/20 0.38
TYRO3 Q06418 3/20 0.38
LRRK2 Q5S007 3/20 0.38
AURKB Q96GD4 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
AURKA O14965 2/20 0.38
DAPK3 O43293 2/20 0.38
MAP4K4 O95819 2/20 0.38
PAK4 O96013 2/20 0.38
ABL1 P00519 2/20 0.38

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
SCHEMBL4043643 0.83 DYRK1B (0.46) DYRK1BDYRK1AJAK2CDK8RET
SCHEMBL4042767 0.82 KDM4E (0.48) DYRK1BDYRK1AMAPK1JAK2CDK8
SCHEMBL31398027 0.81 DYRK1B (0.42) DYRK1BDYRK1AJAK2CDK8RET
SCHEMBL16537120 0.81 MAPK1 (0.40) DYRK1BDYRK1AMAPK1JAK2CDK8
SCHEMBL12168140 0.77 ALDH1A1 (0.41) DYRK1BDYRK1AJAK2CDK8RET
SCHEMBL14002611 0.77 KDM4E (0.50) MAPK1OPRK1
SCHEMBL12370605 0.76 MEN1 (0.38) DYRK1BDYRK1AMAPK1JAK2CDK8
SCHEMBL29495723 0.76 MEN1 (0.38) DYRK1BDYRK1AMAPK1JAK2CDK8
SCHEMBL13386937 0.76 YTHDC1 (0.63) YTHDC1DYRK1APAK1JAK2AURKB
SCHEMBL22208455 0.75 DYRK1A (0.51) DYRK1APAK1GSK3BOPRK1

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
EP-3305073-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF Samumed, LLC (US) 2018-04-11 EP disclosed