SCHEMBL31469718

SCHEMBL31469718

FC1CCN(Cc2ccc(Br)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.48
PDE2A O00408 1/20 0.43
GRM2 Q14416 1/20 0.43
CCR5 P51681 1/20 0.42
HRH3 Q9Y5N1 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
MCHR1 Q99705 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35

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
SCHEMBL5256825 0.86 LTA4H (0.46) TEAD1PDE2AGRM2CCR5HRH3
SCHEMBL1881035 0.83 HRH3 (0.53) PDE2AGRM2HRH3TSHRMCHR1
SCHEMBL110617 0.82 HRH3 (0.53) HRH3TSHRMCHR1
SCHEMBL1873045 0.81 HRH3 (0.55) PDE2AGRM2HRH3L3MBTL1TSHR
SCHEMBL12367631 0.81 PDE2A (0.42) TEAD1PDE2AGRM2HRH3
SCHEMBL12426 0.81 KCNH2 (0.46) TEAD1HRH3L3MBTL1TSHRJAK2
SCHEMBL3057319 0.79 TRPV6 (0.46) TEAD1PDE2AHRH3L3MBTL1DRD4
SCHEMBL5254916 0.79 CYP1A2 (0.45) PDE2AGRM2HRH3L3MBTL1MCHR1
SCHEMBL3065752 0.79 CXCR4 (0.45) PDE2AGRM2HRH3SIGMAR1
SCHEMBL10112329 0.79 KDM4E (0.57) PDE2AGRM2HRH3L3MBTL1

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