SCHEMBL31469637

SCHEMBL31469637

CC(C)CCn1ncc2ccc(N)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
HTR2A P28223 12/20 0.37
HTR2C P28335 12/20 0.37
HTR2B P41595 7/20 0.37
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR4 Q13639 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34

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
SCHEMBL31469672 0.84 HTR2A (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31018649 0.84 HTR2A (0.33) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31469657 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31406228 0.82 ADORA3 (0.39) MCHR1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31018680 0.75 MCHR1 (0.38) MCHR1HTR2AHTR2CHTR2B
SCHEMBL23346697 0.72 PI4KA (0.40) PIK3CB
SCHEMBL30168568 0.72 PI4KA (0.40) PIK3CB
SCHEMBL31469628 0.71 SRC (0.39) MCHR1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26605336 0.71 MCHR1 (0.39) MCHR1HTR2AHTR2CHTR2B
SCHEMBL5403662 0.71 SMN1; SMN2 (0.34) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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