SCHEMBL4413552

SCHEMBL4413552

O=C(NCCc1cnc[nH]1)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AURKA O14965 1/20 0.40
MARK3 P27448 1/20 0.40
MARK4 Q96L34 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
NAMPT P43490 1/20 0.39
HTR3E A5X5Y0 4/20 0.39
HTR3B O95264 4/20 0.39
HTR3A P46098 4/20 0.39
HTR3D Q70Z44 4/20 0.39
HTR3C Q8WXA8 4/20 0.39
CYP3A4 P08684 1/20 0.37
NLN Q9BYT8 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL4413555 0.88 BRAF (0.38) TBK1
SCHEMBL4410708 0.87 MARK3 (0.44) AURKAMARK3MARK4TBK1
SCHEMBL4414542 0.86 KCNH3 (0.39) TBK1
SCHEMBL4412920 0.86 MAPK10 (0.36) TBK1
SCHEMBL4415084 0.86 MAPK10 (0.36) TBK1
SCHEMBL4411774 0.86 MAPK10 (0.36) AURKAMARK3TBK1
SCHEMBL4416830 0.86 BRAF (0.44) AURKATBK1
SCHEMBL4410707 0.85 TBK1 (0.38) TBK1
SCHEMBL4418433 0.85 CDK2 (0.47) AURKA
SCHEMBL4410855 0.84 CCNT1 (0.42) TBK1

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
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed