SCHEMBL31455438

SCHEMBL31455438

Nc1ccc(Nc2nc(C3=CCCCC3)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
ATR Q13535 1/20 0.37
GSK3B P49841 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
PTK2B Q14289 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
SCHEMBL31455066 0.97 FLT3 (0.41) FLT3CCNE1CDK2ATRGSK3B
SCHEMBL31454993 0.78 PRMT1 (0.40) ATRGSK3BMAPTMEN1CYP1A2
SCHEMBL31420362 0.78 GSK3B (0.47) GSK3BPIN1MAPTMEN1CYP1A2
SCHEMBL31455289 0.77 PIK3CA (0.46) GSK3BPIN1MAPTMEN1CYP1A2
SCHEMBL31455333 0.76 MAPT (0.38) GSK3BMAPTMEN1CYP1A2CYP3A4
SCHEMBL31455040 0.75 PRMT1 (0.40) GSK3BMAPTMEN1CYP1A2CYP3A4
SCHEMBL31455246 0.74 BRD4 (0.37) GSK3BPIN1MAPTMEN1CYP1A2
SCHEMBL31455084 0.73 MAPT (0.39) GSK3BMAPTMEN1CYP1A2CYP3A4
SCHEMBL31455353 0.67 MAPT (0.38) GSK3BPIN1MAPTMEN1CYP1A2
SCHEMBL9984336 0.63 MAPT (0.52) GSK3BTDP1PIN1MAPTMEN1

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