SCHEMBL29648256

SCHEMBL29648256

Nc1nc(-c2ccccc2)nc2[nH]nc(Nc3ccc(F)c(F)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TRPA1 O75762 8/20 0.44
ABCG2 Q9UNQ0 5/20 0.44
GRM4 Q14833 1/20 0.44
GPR68 Q15743 1/20 0.40
PTGS2 P35354 1/20 0.39
PIK3CA P42336 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ1 P51787 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL14861582 1.00 LMNA (0.48) LMNAMAPTHPGDTRPA1ABCG2
SCHEMBL3413002 0.87 ABCG2 (0.54) LMNAMAPTHPGDABCG2
SCHEMBL3408510 0.86 ABCG2 (0.56) LMNAHPGDABCG2GRM4
SCHEMBL3602136 0.85 ABCG2 (0.47) LMNAMAPTHPGDABCG2
SCHEMBL3409105 0.84 ABCG2 (0.52) MAPTHPGDTRPA1ABCG2
SCHEMBL16492396 0.84 ABCG2 (0.55) MAPTABCG2
SCHEMBL14861915 0.82 ABCG2 (0.56) ABCG2
SCHEMBL3600310 0.82 ABCG2 (0.52) LMNAMAPTABCG2
SCHEMBL3415833 0.82 MAPT (0.52) LMNAMAPTABCG2
SCHEMBL3592180 0.81 MAPT (0.55) LMNAMAPTHPGDABCG2GRM4

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-2766367-B1 4-Amino-3-phenylamino-6-phenylpyrazolo[3,4-d]pyrimidine derivatives for the treatment of viral infections, in particular picornavirus infections SCANDION ONCOLOGY AS (DK) 2022-05-18 EP disclosed