SCHEMBL6507767

SCHEMBL6507767

COC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 17/20 0.58
PIK3CA P42336 14/20 0.58
PIK3CD O00329 3/20 0.52
PIP5K1B O14986 3/20 0.52
PDGFRB P09619 3/20 0.52
PIK3CB P42338 3/20 0.52
PI4KA P42356 3/20 0.52
PIK3CG P48736 3/20 0.52
PDK1 Q15118 3/20 0.52
PIP5K1A Q99755 3/20 0.52
PI4KB Q9UBF8 3/20 0.52
MAPK8 P45983 3/20 0.48
MAPK10 P53779 3/20 0.48

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
SCHEMBL6501406 0.87 PIP5K1C (0.54) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL5548970 0.81 ATR (0.48)
SCHEMBL5251219 0.80 EGFR (0.57) MAPK8MAPK10
SCHEMBL6509374 0.80 PIP5K1C (0.80) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL6505419 0.78 PIP5K1C (0.81) PIP5K1CPIK3CAPIK3CDPIP5K1BPDGFRB
SCHEMBL14359967 0.77 ATR (0.53)
SCHEMBL29640073 0.77 ATR (0.53)
SCHEMBL24010535 0.76 BRAF (0.57)
SCHEMBL1518666 0.75 MAPK10 (0.70) PIP5K1CPIK3CAPIP5K1BPIP5K1AMAPK8
SCHEMBL5544966 0.75 CYP17A1 (0.47)

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
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 WO disclosed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed