SCHEMBL7369331

SCHEMBL7369331

COc1ccc(-c2nn(C(C)C)c(=O)c3cccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.46
PIK3CD O00329 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
HCK P08631 1/20 0.46
KDR P35968 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
EPHB4 P54760 1/20 0.46
PRKDC P78527 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KAT2B Q92831 1/20 0.43
ADORA1 P30542 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL7370601 0.90 SRC (0.46) SRCPIK3CDABL1EGFRHCK
SCHEMBL7368033 0.87 PIK3CD (0.50) SRCPIK3CDABL1EGFRHCK
SCHEMBL7370561 0.86 L3MBTL1 (0.47) ALDH1A1KAT2BADORA1MAPTL3MBTL1
SCHEMBL7363887 0.84 KAT2B (0.52) KDRKDM4EALDH1A1HPGDKAT2B
SCHEMBL13324084 0.83 KDM4E (0.55) SRCPIK3CDABL1EGFRHCK
SCHEMBL7369486 0.82 KAT2B (0.49) SRCPIK3CDABL1EGFRHCK
SCHEMBL7362432 0.81 MKNK1 (0.44) SRCPIK3CDABL1EGFRHCK
SCHEMBL7365416 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKAT2BADORA1
SCHEMBL7361949 0.80 PDE4A (0.53) KDM4EALDH1A1HPGDKAT2BMAPT
SCHEMBL7366633 0.79 NCOA1 (0.46) ALDH1A1HPGDKAT2BADORA1MAPT

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