SCHEMBL14640425

SCHEMBL14640425

CC(NC(=O)c1cncc(-c2ccc(C(C)(C)C)cc2)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.60
▸ ROCK2 O75116 2/20 0.60
▸ ROCK1 Q13464 2/20 0.60
▸ PRKG1 Q13976 2/20 0.60
▸ RPS6KA5 O75582 1/20 0.60
▸ MAP4K4 O95819 1/20 0.60
▸ CDK1 P06493 1/20 0.60
▸ CSF1R P07333 1/20 0.60
▸ PRKACA P17612 1/20 0.60
▸ FLT1 P17948 1/20 0.60
▸ RPS6KB1 P23443 1/20 0.60
▸ CDK2 P24941 1/20 0.60
▸ AKT1 P31749 1/20 0.60
▸ FLT4 P35916 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ FLT3 P36888 1/20 0.60
▸ GSK3A P49840 1/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ RPS6KA3 P51812 1/20 0.60
▸ PRKX P51817 1/20 0.60

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
SCHEMBL12190887 0.87 ROCK2 (0.61) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12191092 0.86 NPC1 (0.65) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12191054 0.86 NPC1 (0.65) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12191130 0.85 ROCK2 (0.74) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12443254 0.82 NR1H4 (0.80) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12191087 0.82 ROCK2 (0.57) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12191029 0.82 ROCK2 (0.57) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL14640457 0.81 KCNK9 (0.59) LMNANPC1
SCHEMBL12190837 0.80 ROCK2 (0.52) MAPK1ROCK2ROCK1PRKG1RPS6KA5
SCHEMBL12190910 0.80 ROCK2 (0.52) MAPK1ROCK2ROCK1PRKG1RPS6KA5

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
WO-2007011760-A2 INHIBITORS OF MITOTIC KINESIN KALYPSYS, INC. (US) 2007-01-25 — — WO disclosed
Send feedback