SCHEMBL2215112

SCHEMBL2215112

NCCCNC(=O)c1cccc(-c2cc(-c3ccc(O)cc3)nc(=O)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.55
ABL1 P00519 2/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
MAPK8 P45983 2/20 0.42
CHUK O15111 1/20 0.42
INSR P06213 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL383428 0.89 PIM1 (0.60) CDC7ABL1EGFRSRCKDM4E
SCHEMBL383364 0.82 PIM1 (0.62) CDC7ABL1KDM4EHSD17B10ALDH1A1
SCHEMBL3328360 0.80 PIM1 (0.61) CDC7KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL383423 0.78 PIM1 (0.59) CDC7KDM4EALDH1A1PIM1CSNK2A2
SCHEMBL12514652 0.78 PIM1 (0.58) CDC7KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL385382 0.78 PIM1 (0.58) CDC7ABL1SRCKDM4EHSD17B10
SCHEMBL383834 0.76 PIM1 (0.56) CDC7KDM4EHSD17B10ALDH1A1PIM1
SCHEMBL385759 0.76 PIM1 (0.61) CDC7KDM4EALDH1A1PIM1CSNK2A2
SCHEMBL4758874 0.76 CDC7 (0.63) CDC7KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL385521 0.75 PIM1 (0.60) CDC7PIM1CSNK2A2CLK1GSK3B

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-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed