SCHEMBL24460410

SCHEMBL24460410

O=Nc1ccc(-c2ccc3nccn3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.67
RET P07949 4/20 0.48
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
KEAP1 Q14145 1/20 0.45
MCHR1 Q99705 1/20 0.43
TGFBR1 P36897 5/20 0.43
PIK3CA P42336 2/20 0.42
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKT1 P31749 1/20 0.39
MTOR P42345 1/20 0.39
TGFBR2 P37173 1/20 0.39

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
SCHEMBL14826052 0.87 DYRK1A (0.85) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL18584820 0.80 DYRK1A (1.00) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL1576521 0.80 DYRK1A (0.73) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL14320570 0.79 DYRK1A (0.71) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL31381049 0.79 DYRK1A (0.71) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL8828283 0.78 DYRK1A (0.65) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL20641173 0.77 DYRK1A (0.63) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL1349106 0.75 DYRK1A (0.70) DYRK1ARETMEN1CYP1A2KMT2A
Cyanide SCHEMBL22130062 0.74 DYRK1A (0.55) DYRK1ARETMEN1CYP1A2KMT2A
SCHEMBL15743300 0.74 DYRK1A (0.69) DYRK1ARETMEN1CYP1A2KMT2A

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-2022108849-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2022-05-27 WO disclosed