SCHEMBL31469657

SCHEMBL31469657

CC(C)Cn1ncc2ccc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.41
HTR2C P28335 15/20 0.41
HTR2B P41595 7/20 0.41
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
HTR4 Q13639 1/20 0.40
PDE9A O76083 5/20 0.37

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
SCHEMBL31469637 0.84 MCHR1 (0.38) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31469669 0.83 HTR2A (0.43) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31406228 0.78 ADORA3 (0.39) HTR2AHTR2CHTR2B
SCHEMBL22494315 0.77 HTR2A (0.37) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31018649 0.74 HTR2A (0.33) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31469628 0.74 SRC (0.39) PDE9A
SCHEMBL18926932 0.73 KDM4E (0.46) HTR2AHTR2CHTR2BPDE9A
SCHEMBL31469629 0.72 ADORA2A (0.40)
SCHEMBL31018622 0.72 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL31018708 0.71 BACE1 (0.32) HTR2AHTR2C

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-2025079989-A1 PYRAZOLO[3,4-B]PYRIDINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사유한양행 2025-04-17 WO disclosed