SCHEMBL31455120

SCHEMBL31455120

COC(=O)c1ccc(Nc2nc(-c3ccccc3)ccc2N)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAP2K3 P46734 1/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CA P42336 2/20 0.40
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL25385310 0.83 ABCG2 (0.61) PDE5AABCC1ABCG2KDM4EALDH1A1
SCHEMBL31455169 0.83 ABCG2 (0.61) PDE5AABCC1ABCG2KDM4EALDH1A1
SCHEMBL31455412 0.83 GSK3B (0.43) PDE5AABCC1ABCG2MAPK1JAK2
SCHEMBL31455225 0.78 NPC1 (0.44) PDE5AABCC1ABCG2MAP2K3KDM4E
SCHEMBL25161861 0.77 HDAC2 (0.48) HDAC2KDM4EALDH1A1HPGDJAK2
SCHEMBL31455924 0.77 HDAC2 (0.41) PDE5AABCC1ABCG2PIK3CAHDAC2
SCHEMBL31455195 0.77 HDAC1 (0.45) ABCG2MAP2K3PIK3CAHDAC2
SCHEMBL30615600 0.75 MAPT (0.49) MAPK1HDAC2KDM4EALDH1A1HPGD
SCHEMBL28495315 0.75 MAPT (0.49) MAPK1HDAC2KDM4EALDH1A1HPGD
SCHEMBL25161885 0.75 HDAC1 (0.49) MAPK1HDAC2KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed