SCHEMBL15834821

SCHEMBL15834821

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 3/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.35
▸ IL1B P01584 6/20 0.34
▸ NLRP3 Q96P20 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ HRH2 P25021 1/20 0.32

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
SCHEMBL15830004 0.87 HRH3 (0.36) HRH3FLT3HRH4HRH2
SCHEMBL17303779 0.81 MALT1 (0.41) MALT1HRH3IL1BFLT3
SCHEMBL17300777 0.79 MALT1 (0.39) MALT1HRH3IL1BFLT3MAPK1
SCHEMBL15830314 0.78 CCNT1 (0.44) MALT1HRH3IL1BFLT3MAPK1
SCHEMBL15829874 0.76 FLT3 (0.37) HRH3FLT3
SCHEMBL15834730 0.75 HRH3 (0.38) HRH3FLT3HRH4HRH2
SCHEMBL15390274 0.73 MAPK1 (0.50) MALT1HRH3FLT3MAPK1HRH4
SCHEMBL15834094 0.72 ROCK1 (0.44) HRH4
SCHEMBL17072661 0.72 HRH4 (0.46) HRH3FLT3HRH4HRH2
SCHEMBL17383741 0.70 ESR1 (0.31) HRH3

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
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 — — EP disclosed
WO-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 — — WO disclosed
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