SCHEMBL28904201

SCHEMBL28904201

Brc1cnc2ccc[c]c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
BIRC5 O15392 1/20 0.34
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALPL P05186 1/20 0.31
KDR P35968 1/20 0.30

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
SCHEMBL5071855 0.77 CYP1A2 (0.50) HTTKMT2AKDR
SCHEMBL1451430 0.77 MAP4K4 (0.34) DYRK1AKMT2A
SCHEMBL28330304 0.73 ALDH1A1 (0.36) HTTKMT2A
SCHEMBL944985 0.71 HTT (0.41) HTT
SCHEMBL4402445 0.69 CYP2A6 (0.34) BIRC5HTTKMT2A
SCHEMBL80566 0.68 EGFR (0.47)
SCHEMBL271715 0.67 BIRC5 (0.59) BIRC5KMT2AALPLKDR
SCHEMBL18594 0.67 ALDH1A1 (0.44) HTTKMT2A
SCHEMBL25148 0.67 GPR3 (0.50)
SCHEMBL294396 0.66 RARB (0.41) KMT2A

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-112020500-A Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase 拉文纳制药公司 2020-12-01 CN disclosed