SCHEMBL30913040

SCHEMBL30913040

NC1=C(N)C(=Cc2ccccc2)CC=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
F3 P13726 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
MAOB P27338 5/20 0.36
HPGD P15428 4/20 0.35
LMNA P02545 3/20 0.35
MIF P14174 2/20 0.35
MAOA P21397 2/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
GAA P10253 3/20 0.33
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPT P10636 3/20 0.33

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
SCHEMBL9491781 0.73 CYP1A2 (0.40) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL6836753 0.72 AKT1 (0.42) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL11399507 0.72 CYP1A2 (0.42) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL8401484 0.67 CYP1A2 (0.33) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL9149752 0.66 CYP1A2 (0.41) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL28621368 0.65 CYP1A2 (0.36) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL3763259 0.64 CYP1A2 (0.42) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL1350646 0.62 MIF (0.41) MIF
SCHEMBL28767718 0.62 CYP1A2 (0.40) CYP1A2F3ALDH1A1HTTMAOB
SCHEMBL1130461 0.62 CYP1A2 (0.68) CYP1A2F3ALDH1A1HTTMAOB

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
EP-4618991-A1 PHARMACEUTICAL COMBINATIONS AND USES THEREOF Novartis AG (CH) 2025-09-24 EP disclosed
WO-2024105610-A1 PHARMACEUTICAL COMBINATIONS AND USES THEREOF NOVARTIS AG (CH) 2024-05-23 WO disclosed