SCHEMBL15834730

SCHEMBL15834730

CCOc1nc(CC)cc(NC2CNC2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.38
▸ FLT3 P36888 10/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NRAS P01111 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31

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
SCHEMBL15829874 0.87 FLT3 (0.37) HRH3FLT3ESR1NRASIRAK4
SCHEMBL15829873 0.84 HRH3 (0.39) HRH3FLT3NPSR1NRASIRAK4
SCHEMBL17300794 0.81 NPSR1 (0.37) HRH3FLT3NPSR1NRASIRAK4
SCHEMBL15830004 0.76 HRH3 (0.36) HRH3FLT3ESR1HRH4HRH2
SCHEMBL15834821 0.75 MALT1 (0.38) HRH3FLT3HRH4HRH2
SCHEMBL17072661 0.75 HRH4 (0.46) HRH3FLT3IRAK4HRH4HRH2
SCHEMBL15834094 0.72 ROCK1 (0.44) HRH4
SCHEMBL15834078 0.70 RXRA (0.32) HRH3ESR1
SCHEMBL21140418 0.70 FLT3 (0.45) HRH3FLT3HRH4
SCHEMBL19633544 0.70 HRH3 (0.35) HRH3FLT3ESR1

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-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 — — WO disclosed
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