SCHEMBL2215043

SCHEMBL2215043

O=C(Nc1cccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
ROCK2 O75116 4/20 0.38
WNT1 P04628 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
MAP3K5 Q99683 1/20 0.36
PRKG1 Q13976 2/20 0.35
PKN2 Q16513 2/20 0.35
PRKCE Q02156 1/20 0.35
ITGB3 P05106 5/20 0.35
ITGA2 P17301 5/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
IGF1R P08069 1/20 0.35
ITGA2B P08514 4/20 0.35

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
SCHEMBL2214272 0.97 MAP3K5 (0.39) F2PLGPLAUPLATKLKB1
SCHEMBL2215284 0.95 F2 (0.39) F2PLGPLAUPLATKLKB1
SCHEMBL2213794 0.92 ROCK2 (0.40) F2PLGPLAUPLATKLKB1
SCHEMBL2213715 0.82 SMN1; SMN2 (0.38) F2PLGPLAUPLATPRSS1
SCHEMBL2214311 0.82 KCNK9 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL2211911 0.82
SCHEMBL2214909 0.81 LOXL2 (0.38) ROCK2AURKBALDH1A1HPGDSMN1; SMN2
SCHEMBL2215249 0.81 SMN1; SMN2 (0.37) KDRALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2215156 0.81 KDM4E (0.37) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL2213042 0.81 LMNA (0.37) KDRALDH1A1HPGDSMN1; SMN2HSD17B10

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-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed