SCHEMBL7370601

SCHEMBL7370601

COc1ccc(-c2nn(C(C)C)c(=O)c3ncccc23)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 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
KAT2B Q92831 1/20 0.43
TP53 P04637 1/20 0.41
CACNA1B Q00975 1/20 0.41
MAOB P27338 2/20 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
SCHEMBL7369331 0.90 SRC (0.46) SRCPIK3CDABL1EGFRHCK
SCHEMBL7366042 0.87 PIK3CD (0.50) SRCPIK3CDABL1EGFRHCK
SCHEMBL7370597 0.86 L3MBTL1 (0.50) ALDH1A1KAT2BMAPTADORA1
SCHEMBL7367931 0.84 HPGD (0.55) KDM4EALDH1A1HPGDKAT2BMAPT
SCHEMBL13324084 0.83 KDM4E (0.55) SRCPIK3CDABL1EGFRHCK
SCHEMBL7360998 0.82 HPGD (0.52) ALDH1A1HPGDKAT2BMAPTADORA1
SCHEMBL7370202 0.81 MKNK1 (0.44) SRCPIK3CDABL1EGFRHCK
SCHEMBL7365028 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDKAT2BTP53
SCHEMBL7365986 0.80 PDE4A (0.53) KDM4EALDH1A1HPGDKAT2BTP53
SCHEMBL7367492 0.79 NCOA1 (0.46) KDM4EALDH1A1HPGDKAT2BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
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