SCHEMBL16995179

SCHEMBL16995179

Cn1c(=O)c(-c2c(Br)cccc2Br)cc2c(N)nc(Nc3ccccc3)nc21

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 18/20 0.69
▸ SRC P12931 3/20 0.55
▸ EGFR P00533 1/20 0.52
▸ FGFR1 P11362 1/20 0.52
▸ FGFR2 P21802 1/20 0.52
▸ FGFR4 P22455 1/20 0.52
▸ FGFR3 P22607 1/20 0.52
▸ ABL1 P00519 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL16986321 0.90 WEE1 (0.55) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16986316 0.87 WEE1 (0.69) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16287539 0.87 WEE1 (0.69) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16986363 0.85 WEE1 (0.52) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16287166 0.82 SRC (0.62) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16986326 0.81 WEE1 (0.63) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16287869 0.80 SRC (0.73) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16986344 0.78 ADRB2 (0.48) WEE1MAPK14
SCHEMBL16986361 0.76 FGFR1 (0.59) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16986362 0.75 FGFR1 (0.69) WEE1SRCEGFRFGFR1FGFR2

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-2015118110-A1 PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) 2015-08-13 — — WO disclosed
EP-2905024-A1 Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae Institut Quimic De Sarriá Cets, Fundació Privada (ES) 2015-08-12 — — EP disclosed
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