SCHEMBL16986321

SCHEMBL16986321

Cn1c(=O)c(-c2ccccc2Br)cc2c(N)nc(Nc3ccccc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 14/20 0.55
▸ ABL1 P00519 1/20 0.49
▸ SRC P12931 2/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ EGFR P00533 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ FGFR3 P22607 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL16995179 0.90 WEE1 (0.69) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16986363 0.86 WEE1 (0.52) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16986316 0.81 WEE1 (0.69) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16287539 0.81 WEE1 (0.69) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16287166 0.77 SRC (0.62) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16986326 0.76 WEE1 (0.63) WEE1SRCEGFRFGFR1FGFR2
SCHEMBL16287869 0.74 SRC (0.73) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16986361 0.70 FGFR1 (0.59) WEE1ABL1SRCEGFRFGFR1
SCHEMBL16986344 0.70 ADRB2 (0.48) WEE1ADRB2
SCHEMBL16986362 0.70 FGFR1 (0.69) WEE1ABL1SRCEGFRFGFR1

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-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 claimed
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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