SCHEMBL21061229

SCHEMBL21061229

c1cc(CNc2ccnc3cn[nH]c23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.46
▸ ADRA2C P18825 2/20 0.42
▸ TGFBR1 P36897 5/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ FLT1 P17948 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C8 P10632 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL22734380 0.85 CYP2C19 (0.53) HDAC6HDAC3HDAC1HDAC2CYP3A4
SCHEMBL21067122 0.83 TGFBR1 (0.42) TGFBR1HDAC6PKMCYP3A4CYP2C8
SCHEMBL27409993 0.82 HDAC6 (0.40) SYKTGFBR1HDAC6PKMCYP3A4
SCHEMBL21067190 0.82 TGFBR1 (0.41) SYKTGFBR1HDAC6PKMCYP3A4
SCHEMBL21067231 0.82 KCNH3 (0.39) SYKTGFBR1HDAC6PKMCYP3A4
SCHEMBL21067262 0.81 TGFBR1 (0.40) TGFBR1HDAC6HDAC1CYP3A4CYP2C8
SCHEMBL21067211 0.80 MAP4K4 (0.39) TGFBR1HDAC6PKMHDAC3HDAC1
SCHEMBL22574531 0.79 PDE1A (0.43) TGFBR1
SCHEMBL21067139 0.78 TGFBR1 (0.45) TGFBR1PKMKDRCYP3A4CYP2C8
SCHEMBL21067165 0.78 CTNNB1 (0.38) TGFBR1HDAC6PKMCYP3A4CYP2C8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723807-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H. Lundbeck A/S (DK) 2020-10-21 — — EP disclosed
WO-2019115566-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H. LUNDBECK A/S (DK) 2019-06-20 — — WO disclosed
Send feedback