SCHEMBL18166286

SCHEMBL18166286

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccncc3)cc(-n3cnnn3)c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
FLT4 P35916 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKX P51817 1/20 0.40
NEK4 P51957 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL18166266 0.92 KMT2A (0.43) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL18166303 0.91 ROCK1 (0.39) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL18166314 0.91 ROCK1 (0.40) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL18166312 0.88 KMT2A (0.40) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL18166425 0.88 KMT2A (0.44) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL10243077 0.87 P2RX3 (0.48) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL18166301 0.87 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL18166454 0.87 KMT2A (0.36) KMT2AP2RX3P2RX2TDP1
SCHEMBL18166359 0.86 P2RX3 (0.40) MAPK1KMT2AP2RX3P2RX2LMNA
SCHEMBL18166354 0.86 KMT2A (0.38) ROCK1RPS6KA5MAP4K4PRKCGCDK1

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-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed