SCHEMBL30280407

SCHEMBL30280407

Cc1[nH]c2ncc(Br)cc2c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.45
DYRK1A Q13627 7/20 0.42
AURKA O14965 3/20 0.42
JAK2 O60674 3/20 0.42
MAP4K4 O95819 3/20 0.42
FGFR1 P11362 3/20 0.42
FLT1 P17948 3/20 0.42
KDR P35968 3/20 0.42
CLK2 P49760 3/20 0.42
CDK5 Q00535 3/20 0.42
MAP4K2 Q12851 3/20 0.42
AURKB Q96GD4 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
PRKD3 O94806 2/20 0.42
TAOK1 Q7L7X3 2/20 0.42
IGF1R P08069 2/20 0.42
JAK3 P52333 2/20 0.42
LIMK1 P53667 2/20 0.42
NTRK2 Q16620 2/20 0.42
PLK4 O00444 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
SCHEMBL7513614 1.00 CHEK1 (0.45) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL1565081 0.85 CHEK1 (0.45) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL21417550 0.81 CHEK1 (0.43) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL25153315 0.79 CHEK1 (0.44) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL30280432 0.79 CHEK1 (0.44) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL25153268 0.79 CHEK1 (0.41) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL30280374 0.79 CHEK1 (0.41) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL23101646 0.78 MAP4K1 (0.46) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL25153601 0.75 DYRK1B (0.41) CHEK1DYRK1AAURKAJAK2MAP4K4
SCHEMBL25153336 0.75 KDM4E (0.45) CHEK1DYRK1AAURKAJAK2MAP4K4

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
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed