SCHEMBL5748900

SCHEMBL5748900

Cc1nc2sc3c(N)nc(N)nc3c2cc1CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDC7 O00311 8/20 0.42
DBF4 Q9UBU7 8/20 0.42
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LIMK1 P53667 2/20 0.35
PLK4 O00444 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
ROCK2 O75116 1/20 0.33
FYN P06241 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL4900030 0.74 CDC7 (0.55) KDM4EHSD17B10SMN1; SMN2CDC7DBF4
SCHEMBL4903144 0.73 CDC7 (0.65) KDM4EHSD17B10CDC7DBF4MAPT
SCHEMBL4903044 0.68 MAPT (0.70) KDM4EHSD17B10SMN1; SMN2CDC7DBF4
SCHEMBL4899947 0.61 IKBKB (0.71) KDM4ESMN1; SMN2CDC7DBF4MAPT
SCHEMBL4905123 0.61 CDC7 (0.73) KDM4EHSD17B10CDC7DBF4MAPT
SCHEMBL1695176 0.60 KDM4E (0.37) KDM4ESMN1; SMN2
SCHEMBL4892520 0.60 LIMK1 (0.72) KDM4EHSD17B10SMN1; SMN2CDC7DBF4
SCHEMBL5592987 0.59 NOS3 (0.36) KDM4EALDH1A1HPGD
SCHEMBL4902497 0.57 MEN1 (0.53) KDM4EHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL4903289 0.57 MAPT (0.74) KDM4EHSD17B10SMN1; SMN2CDC7DBF4

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-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed