SCHEMBL30715979

SCHEMBL30715979

C[N+](C)(C)Cc1c[nH]c2ncc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.47
JAK2 O60674 3/20 0.47
MAP4K4 O95819 3/20 0.47
FGFR1 P11362 3/20 0.47
FLT1 P17948 3/20 0.47
KDR P35968 3/20 0.47
CLK2 P49760 3/20 0.47
CDK5 Q00535 3/20 0.47
MAP4K2 Q12851 3/20 0.47
DYRK1A Q13627 3/20 0.47
AURKB Q96GD4 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
PRKD3 O94806 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
IGF1R P08069 2/20 0.47
JAK3 P52333 2/20 0.47
LIMK1 P53667 2/20 0.47
NTRK2 Q16620 2/20 0.47
PLK4 O00444 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL25304142 1.00 AURKA (0.47) AURKAJAK2MAP4K4FGFR1FLT1
Iodide SCHEMBL26981826 0.98 AURKA (0.46) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL22864675 0.82 PDPK1 (0.52) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL17883509 0.81 JAK2 (0.47) AURKAJAK2MAP4K4FGFR1FLT1
Iodide SCHEMBL17873364 0.80 JAK2 (0.46) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL21618384 0.79 AURKA (0.50) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL26389859 0.79 DYRK1A (0.50) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL857144 0.78 AURKA (0.47) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL30068918 0.78 AURKA (0.47) AURKAJAK2MAP4K4FGFR1FLT1
SCHEMBL23087743 0.78 KDR (0.47) AURKAJAK2MAP4K4FGFR1FLT1

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-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed