SCHEMBL6207398

SCHEMBL6207398

O=C(Nc1cccc(N(Nc2ncnc3[nH]ncc23)C(=O)O)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
FLT3 P36888 4/20 0.47
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
BRAF P15056 1/20 0.45
TTBK1 Q5TCY1 1/20 0.45
PAK1 Q13153 1/20 0.44
HTT P42858 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
EGFR P00533 3/20 0.42
AURKB Q96GD4 2/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
INCENP Q9NQS7 1/20 0.41

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
SCHEMBL6205011 0.85 FLT3 (0.48) MAPK1FLT3TTBK1PAK1HTT
SCHEMBL2343403 0.78 MAPK1 (0.58) MAPK1FLT3NPC1JAK2RAB9A
SCHEMBL26785933 0.77 MAPK1 (0.69) MAPK1FLT3TTBK1MKNK1EGFR
SCHEMBL26784629 0.76 MAPK1 (0.71) MAPK1FLT3TTBK1HTTMKNK1
SCHEMBL4693022 0.70 FLT3 (0.66) MAPK1FLT3TTBK1HTTMKNK1
SCHEMBL6844684 0.69 ALDH1A1 (0.48) MAPK1FLT3BRAFAURKBMAPK14
SCHEMBL4686916 0.67 PAK1 (0.64) MAPK1FLT3NPC1RAB9ATTBK1
SCHEMBL31686015 0.67 KCNK3 (0.71) NPC1RAB9AKCNK3KCNK9ALDH1A1
SCHEMBL1406620 0.67 MAPK1 (1.00) MAPK1FLT3TTBK1HTTMKNK1
SCHEMBL8342652 0.66 MAPT (0.64) NPC1RAB9AHTTMAPK14ALDH1A1

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-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed