SCHEMBL31455141

SCHEMBL31455141

COC(=O)C1CC2(CC(C(=O)Nc3ccc(Nc4nc(-c5ccccc5)ccc4[N+](=O)[O-])c(C)c3)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KMT2A Q03164 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.35
ABCB1 P08183 3/20 0.35
TNIK Q9UKE5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
BCL2L2 Q92843 1/20 0.34
BTK Q06187 2/20 0.34
ABCC1 P33527 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
SCHEMBL31455361 0.91 ADORA1 (0.40) POLBCTDSP1KMT2ANPC1RAB9A
SCHEMBL31454994 0.88 TNIK (0.36) KMT2AMEN1LMNATNIKALDH1A1
SCHEMBL31455145 0.87 CYP3A4 (0.33) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL31455019 0.87 GSK3A (0.34) NPC1ABCB1ABCC1
SCHEMBL31455406 0.86 CYP3A4 (0.34) NPC1MAPTABCB1ABCC1
SCHEMBL31455107 0.79 BRD9 (0.41) POLBCTDSP1KMT2ANPC1RAB9A
SCHEMBL31455364 0.78 ADORA1 (0.42) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL31455449 0.78 GSK3B (0.39) NPC1MAPTSMN1; SMN2LMNAABCB1
SCHEMBL31455204 0.76 GSK3B (0.38) NPC1ABCB1KDM4EHPGDHTT
SCHEMBL31455712 0.73 TSHR (0.42) KMT2AMEN1MAPTSMN1; SMN2LMNA

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