SCHEMBL23536642

SCHEMBL23536642

C1=C(c2c[nH]c3cccnc23)CCOC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
PDE10A Q9Y233 3/20 0.41
PSMD14 O00487 1/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13424862 0.76 CDK7 (0.34) PSMD14CDK7CDK9KDM4EMEN1
SCHEMBL9697101 0.76 KDM4E (0.61) PIM2CDK9KDM4EMEN1ALDH1A1
SCHEMBL3227382 0.76 FLT3 (0.36) PIM1PSMD14CDK7CDK9KDM4E
SCHEMBL3209524 0.75 FLT3 (0.40) PIM1PSMD14CDK7CDK9KDM4E
SCHEMBL23536767 0.74 KDR (0.34) CDK7CDK9KDM4EMEN1ALDH1A1
SCHEMBL3627711 0.73 SLC6A4 (0.64) KDM4EHSD17B10
SCHEMBL2630746 0.72 PDE10A (0.41) PDE10APIK3CDPIK3CAPDCD1CD274
SCHEMBL2250102 0.72 BACE1 (0.42) PDE10APIK3CDPIK3CAPDCD1CD274
SCHEMBL2457269 0.72 BACE1 (0.49) PDE10APIK3CDPIK3CAPDCD1CD274
SCHEMBL25244381 0.70 HTR2A (0.56) PSMD14CDK7CDK9KDM4EMEN1

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed