SCHEMBL15830004

SCHEMBL15830004

CCc1cc(NC2CNC2)nc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.36
▸ HRH4 Q9H3N8 2/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ FLT3 P36888 4/20 0.33
▸ CXCR4 P61073 1/20 0.31
▸ ESR1 P03372 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
SCHEMBL15834821 0.87 MALT1 (0.38) HRH3HRH4HRH2FLT3
SCHEMBL17383741 0.83 ESR1 (0.31) HRH3ESR1
SCHEMBL15833955 0.81 HRH3 (0.39) HRH3HRH4HRH2FLT3
SCHEMBL17300826 0.81 HRH3 (0.39) HRH3HRH4HRH2FLT3
SCHEMBL15829874 0.77 FLT3 (0.37) HRH3FLT3CXCR4ESR1
SCHEMBL15834573 0.77 CCNT1 (0.45) HRH3HRH4HRH2FLT3
SCHEMBL15834730 0.76 HRH3 (0.38) HRH3HRH4HRH2FLT3ESR1
SCHEMBL12341383 0.76 NOS3 (0.45) HRH3ESR1
SCHEMBL17300798 0.74 HRH3 (0.36) HRH3HRH4HRH2FLT3
SCHEMBL15834094 0.73 ROCK1 (0.44) HRH4CXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 — — WO disclosed
WO-2014100719-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 — — WO disclosed
Send feedback