SCHEMBL6990480

SCHEMBL6990480

C[C@H](NC(=O)Oc1nc2ccncc2s1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.42
ROCK1 Q13464 3/20 0.42
KDM4C Q9H3R0 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKX P51817 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
SCHEMBL6996652 1.00 ROCK2 (0.42) ROCK2ROCK1KDM4CRPS6KA5MAP4K4
SCHEMBL6991461 0.80 ALOX15 (0.55) ROCK2ROCK1KDM4CRPS6KA5MAP4K4
SCHEMBL6999605 0.80 ALOX15 (0.55) ROCK2ROCK1KDM4CRPS6KA5MAP4K4
SCHEMBL7000497 0.77 ROCK2 (0.43) ROCK2ROCK1KDM4CRPS6KA5MAP4K4
SCHEMBL6994625 0.72 POLB (0.53) ROCK2ROCK1ALDH1A1KMT2A
SCHEMBL20318831 0.70 KDM4E (0.52) CDK2ALDH1A1NAMPTRAB9ATSHR
SCHEMBL21460379 0.70 KDM4E (0.52) CDK2ALDH1A1NAMPTRAB9ATSHR
SCHEMBL26049725 0.69 LTA4H (0.43) ROCK2ROCK1MAP4K4PRKACAFLT1
SCHEMBL9046891 0.68 ALDH1A1 (0.54) ALDH1A1KMT2A
SCHEMBL8134776 0.68 ALDH1A1 (0.54) ALDH1A1KMT2A

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-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed