SCHEMBL31314983

SCHEMBL31314983

CN(N)c1cnc2ccc(Br)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ BACE1 P56817 2/20 0.37
▸ HTT P42858 6/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PTGES O14684 2/20 0.35
▸ PIK3R1 P27986 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ HIF1A Q16665 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
SCHEMBL2621737 0.86 ALDH1A1 (0.41) SMN1; SMN2MAPTNPC1ALDH1A1MEN1
SCHEMBL29414488 0.86 ALDH1A1 (0.41) SMN1; SMN2MAPTNPC1ALDH1A1MEN1
SCHEMBL29414465 0.79 GBA1 (0.53) SMN1; SMN2MAPTNPC1ALDH1A1MEN1
SCHEMBL2621733 0.78 EGFR (0.45) SMN1; SMN2MAPTNPC1ALDH1A1MEN1
SCHEMBL31314984 0.77 BACE1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL26789623 0.77 BACE1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5435508 0.77 RAB9A (0.49) SMN1; SMN2MAPTNPC1ALDH1A1MEN1
SCHEMBL2621735 0.76 ATM (0.40) —
SCHEMBL23247980 0.76 NCF1 (0.43) SMN1; SMN2MAPTNPC1ALDH1A1MEN1
SCHEMBL2621750 0.75 POLB (0.62) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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
CN-119451968-A Macrocyclic compounds and uses thereof 西普拉里斯有限公司 2025-02-14 — — CN disclosed
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