SCHEMBL29861753

SCHEMBL29861753

Cc1ncc2cc(Br)c(=O)[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ DAO P14920 4/20 0.39
▸ MAPK1 P28482 2/20 0.36
▸ DYRK1A Q13627 2/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ RET P07949 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PIM1 P11309 1/20 0.32

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
SCHEMBL15280148 0.81 CDC7 (0.38) DAODYRK1ADYRK1BAURKADAPK3
SCHEMBL22612785 0.80 SIK2 (0.45) DAOMAPK1DYRK1ADYRK1BPARG
SCHEMBL31532055 0.80 SIK2 (0.45) DAOMAPK1DYRK1ADYRK1BPARG
SCHEMBL29538008 0.79 MEN1 (0.38) DAOMAPK1NTRK1
SCHEMBL661610 0.79 MEN1 (0.38) DAOMAPK1NTRK1
SCHEMBL31290945 0.78 PARG (0.35) DAOMAPK1PARGTBK1
SCHEMBL23632980 0.76 DYRK1A (0.35) DYRK1ADYRK1B
SCHEMBL31532076 0.76 CDK4 (0.42) MAPK1FGFR1CLK4
SCHEMBL31532117 0.76 CDK4 (0.40) DYRK1BAURKADAPK3PRKD3MAP4K4
SCHEMBL15280147 0.76 PARG (0.32) DAOMAPK1PARG

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
CN-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 — — CN disclosed
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