SCHEMBL31455445

SCHEMBL31455445

CC(C)(C)c1ccc([N+](=O)[O-])c(Nc2ccc(N)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.40
HTT P42858 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PIK3CD O00329 1/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
EGFR P00533 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1B1 P15121 1/20 0.37
AKR1C4 P17516 1/20 0.37

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
SCHEMBL31455855 0.81 IDO1 (0.45) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL31455453 0.79 MAPT (0.41) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL31455529 0.78 MEN1 (0.43) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL31455424 0.77 NPC1 (0.44) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL31455675 0.75 MAPT (0.54) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL31455162 0.73 KMT2A (0.42) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL31455388 0.71 PRMT1 (0.46) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL21467287 0.69 ALDH1A1 (0.49) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL6297719 0.69 TDP1 (0.58) MAPK1HTTRAB9ANPC1ALDH1A1
SCHEMBL28172411 0.69 MAPK1 (0.68) MAPK1HTTRAB9ANPC1ALDH1A1

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