SCHEMBL31455503

SCHEMBL31455503

Cc1c(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])ccc(N)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GFER P55789 1/20 0.36
MYC P01106 2/20 0.35
MAP2K3 P46734 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL31455004 0.82 ABCG2 (0.40) ABCG2MAPTMEN1KMT2AMYC
SCHEMBL31420324 0.82 ABCG2 (0.40) ABCG2MAPTMEN1KMT2AMYC
SCHEMBL31455712 0.81 TSHR (0.42) ABCG2MAPTMEN1KMT2AMYC
SCHEMBL31455452 0.81 ABCG2 (0.39) ABCG2MAPTMEN1KMT2AMAP2K3
SCHEMBL31455294 0.79 BRD9 (0.41) ABCG2MAPTMEN1KMT2AL3MBTL1
SCHEMBL31455449 0.76 GSK3B (0.39) MAPTSMN1; SMN2GSK3BLMNAHTT
SCHEMBL12100934 0.75 GSK3B (0.57) ABCG2MAPTMEN1KMT2AMYC
SCHEMBL7835308 0.74 GALR2 (0.46) ABCG2MAPTMEN1KMT2AL3MBTL1
SCHEMBL31420362 0.71 GSK3B (0.47) ABCG2MAPTMEN1KMT2AGSK3B
SCHEMBL31455381 0.71 GSK3B (0.47) ABCG2MAPTMEN1KMT2AGSK3B

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed