SCHEMBL28557173

SCHEMBL28557173

OC[C](O)c1n[nH]c2ncc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.40
AURKA O14965 3/20 0.40
JAK2 O60674 3/20 0.40
MAP4K4 O95819 3/20 0.40
FGFR1 P11362 3/20 0.40
FLT1 P17948 3/20 0.40
KDR P35968 3/20 0.40
CLK2 P49760 3/20 0.40
CDK5 Q00535 3/20 0.40
MAP4K2 Q12851 3/20 0.40
AURKB Q96GD4 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
IGF1R P08069 2/20 0.40
JAK3 P52333 2/20 0.40
LIMK1 P53667 2/20 0.40
NTRK2 Q16620 2/20 0.40
PRKD3 O94806 2/20 0.40
TAOK1 Q7L7X3 2/20 0.40
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40

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 0.81 DYRK1B (0.46) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL31398027 0.76 DYRK1B (0.42) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL20041453 0.74 YTHDC1 (0.48) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL4042767 0.74 KDM4E (0.48) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL1592867 0.73 DYRK1B (0.44) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL16537120 0.73 MAPK1 (0.40) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL14002611 0.73 KDM4E (0.50) KDM4EALDH1A1MAPT
SCHEMBL30508312 0.71 DYRK1A (0.55) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL1585071 0.71 DYRK1A (0.55) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL12168140 0.70 ALDH1A1 (0.41) DYRK1AAURKAJAK2MAP4K4FGFR1

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
CN-112724134-B Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2022-04-01 CN disclosed
CN-112724134-A Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-04-30 CN disclosed