SCHEMBL18166266

SCHEMBL18166266

CC(NC(=O)Oc1cc(-c2ccc(F)cc2F)cc(-n2cnnn2)c1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ROCK1 Q13464 2/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41

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
SCHEMBL18166286 0.92 ROCK1 (0.40) KMT2AHSD17B10ROCK1RPS6KA5MAP4K4
SCHEMBL18166314 0.92 ROCK1 (0.40) KMT2AHSD17B10ROCK1RPS6KA5MAP4K4
SCHEMBL18166354 0.92 KMT2A (0.38) KMT2AHSD17B10ROCK1RPS6KA5MAP4K4
SCHEMBL18166327 0.91 ROCK1 (0.39) ROCK1RPS6KA5MAP4K4PRKCGCDK1
SCHEMBL10243019 0.87 KMT2A (0.45) KMT2AHSD17B10ROCK1RPS6KA5MAP4K4
SCHEMBL18166449 0.86 ACKR3 (0.38) MAPK1
SCHEMBL18166440 0.84 MARS1 (0.40) KMT2ADGAT2
SCHEMBL18036304 0.84 KLKB1 (0.41) KMT2AKLKB1DGAT2ATMNPSR1
SCHEMBL18166303 0.83 ROCK1 (0.39) KMT2AROCK1RPS6KA5MAP4K4PRKCG
SCHEMBL18166425 0.83 KMT2A (0.44) KMT2AROCK1RPS6KA5MAP4K4PRKCG

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