SCHEMBL31455200

SCHEMBL31455200

Cc1nc(N)ccc1Nc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
MAPT P10636 4/20 0.36
BACE1 P56817 2/20 0.36
EGFR P00533 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
KAT2B Q92831 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGFR P43088 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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
SCHEMBL31455497 0.81 ABCB1 (0.43) MAPTBACE1
SCHEMBL31455383 0.77 MAPT (0.43) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL16179175 0.76 LMNA (0.39) IDO1MAPTEGFRLMNANPC1
SCHEMBL31455855 0.75 IDO1 (0.45) IDO1MAPTEGFRLMNANPC1
SCHEMBL28797575 0.75 RGS12 (0.42) BACE1LMNANPC1RAB9AKDM4E
SCHEMBL30875970 0.74 NOS3 (0.48) MAPTLMNAGAAKDM4ETSHR
SCHEMBL539616 0.74 NOS3 (0.48) MAPTLMNAGAAKDM4ETSHR
SCHEMBL11971050 0.73 ROCK1 (0.54) IDO1EGFRMEN1KMT2A
SCHEMBL14247759 0.72 MAPK1 (0.53) IDO1MAPTLMNANPC1RAB9A
SCHEMBL27853621 0.72 OPRM1 (0.49) MAPTBACE1NPC1RAB9AGAA

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