SCHEMBL7368776

SCHEMBL7368776

CCn1nc(-c2ccc(C(=O)N(C)C)cc2)c2ncccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
TBXAS1 P24557 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 5/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL7367402 0.91 NCOA1 (0.46) NCOA1NCOA3TBXAS1SMN1; SMN2KMT2A
SCHEMBL7365898 0.87 PDE4B (0.49) TBXAS1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL7365955 0.87 PDE4A (0.52) NCOA1NCOA3SMN1; SMN2KMT2APDE4A
SCHEMBL7364996 0.86 PDE4A (0.61) NCOA1NCOA3SMN1; SMN2KMT2APDE4A
SCHEMBL7363949 0.86 TBXAS1 (0.46) TBXAS1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL7364707 0.84 HPGD (0.52) TBXAS1SMN1; SMN2KMT2APDE4APDE4B
SCHEMBL7366902 0.83 PDE4A (0.48) NCOA1NCOA3SMN1; SMN2KMT2APDE4A
SCHEMBL7366633 0.82 NCOA1 (0.46) NCOA1NCOA3KMT2AMAPTMEN1
SCHEMBL7366676 0.82 NCOA1 (0.48) NCOA1NCOA3SMN1; SMN2KMT2APDE4A
SCHEMBL7370618 0.82 RAB9A (0.51) TBXAS1SMN1; SMN2KMT2APDE4APDE4B

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed