SCHEMBL25865894

SCHEMBL25865894

COC1C=C(c2c[nH]c3ncccc23)CNC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
HTR2B P41595 1/20 0.72
BRD4 O60885 1/20 0.45
RET P07949 2/20 0.44
DYRK1A Q13627 3/20 0.42
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 1/20 0.41
TGFBR1 P36897 3/20 0.41
PDPK1 O15530 2/20 0.41
IKBKE Q14164 2/20 0.41
MAP2K1 Q02750 1/20 0.41
CDK2 P24941 2/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
GSK3B P49841 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CDK9 P50750 2/20 0.40

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
SCHEMBL26646654 0.84 HTR2A (1.00) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL26646622 0.84 HTR2A (1.00) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL30532650 0.84 HTR2A (1.00) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL30532644 0.84 HTR2A (1.00) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL30509688 0.84 HTR2A (1.00) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL25429922 0.84 HTR2A (1.00) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL25865895 0.79 HTR2A (0.50) HTR2AHTR2CHTR2BBRD4RET
SCHEMBL25865698 0.78 HTR2A (0.68) HTR2AHTR2CHTR2BRETDYRK1A
SCHEMBL30509693 0.78 HTR2A (0.68) HTR2AHTR2CHTR2BRETDYRK1A
SCHEMBL25865897 0.78 HTR2A (0.68) HTR2AHTR2CHTR2BRETDYRK1A

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-2023141225-A1 FUSED HETEROCYCLES AS 5-HT2A RECEPTOR AGONISTS ONSERO THERAPEUTICS INC. (US) 2023-07-27 WO disclosed