SCHEMBL5633264

SCHEMBL5633264

Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)nc2cnc(NN3CCOCC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.47
ALDH1A1 P00352 10/20 0.47
CASP7 P55210 10/20 0.47
CASP1 P29466 9/20 0.47
HIF1A Q16665 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 3/20 0.47
WEE1 P30291 4/20 0.46
SRC P12931 4/20 0.45
FGFR1 P11362 3/20 0.45
PDGFRB P09619 1/20 0.45
SLC2A1 P11166 1/20 0.45
PDGFRA P16234 1/20 0.45
PKMYT1 Q99640 1/20 0.45
HSD17B10 Q99714 7/20 0.44
GLA P06280 6/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.43
USP2 O75604 8/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL5511668 0.86 SRC (0.62) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL5633975 0.76 FGFR1 (0.60) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL5523042 0.75 SRC (0.74) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL5520408 0.73 FGFR1 (0.64) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL5523958 0.70 FGFR1 (0.58) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL5516295 0.67 FGFR1 (0.56) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL5534904 0.65 CYP1A2 (0.74) CYP1A2ALDH1A1CASP7CASP1HIF1A
SCHEMBL3458816 0.62 SRC (1.00) WEE1SRCFGFR1PDGFRBSLC2A1
SCHEMBL29508114 0.62 SRC (1.00) WEE1SRCFGFR1PDGFRBSLC2A1
SCHEMBL5524754 0.60 SRC (0.74) CYP1A2ALDH1A1CASP7CASP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169778-B2 Pteridinones as kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US claimed