SCHEMBL30899643

SCHEMBL30899643

Cc1cc(F)c2cnn(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.40
PIP4K2A P48426 1/20 0.40
HTR2C P28335 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TP53 P04637 1/20 0.37
BCDIN3D Q7Z5W3 4/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLK4 O00444 1/20 0.36

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
SCHEMBL23872469 0.81 PDE2A (0.42) PDE2AHTR2CMEN1KMT2AHRH1
SCHEMBL29786789 0.78 KMT2A (0.40) PDE2AHTR2CMEN1KMT2AHRH1
SCHEMBL30935932 0.78 PDE2A (0.40) PDE2AHTR2CMEN1KMT2AHRH1
SCHEMBL29133371 0.78 PDE2A (0.47) PDE2AMEN1KMT2AKCNH2TLR8
SCHEMBL24654997 0.78 KMT2A (0.41) PDE2AHTR2CMEN1KMT2AHRH1
SCHEMBL20674220 0.78 PDE2A (0.40) PDE2AHTR2CMEN1KMT2AHRH1
SCHEMBL19953294 0.78 KMT2A (0.40) PDE2AHTR2CMEN1KMT2AHRH1
SCHEMBL2737319 0.75 S1PR2 (0.45) PDE2AMEN1KMT2AHRH1HRH4
SCHEMBL15024697 0.73 KDM4E (0.43) PDE2AMEN1KMT2ATP53F7
SCHEMBL15024702 0.73 KDM4E (0.54) KMT2AF7F3ALDH1A1

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
CN-118076604-A Pyrazolo [3,4-b ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-05-24 CN disclosed