SCHEMBL4707385

SCHEMBL4707385

Cc1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)N[C@H]1C(=O)CSC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
ACVR1 Q04771 1/20 0.35
NR3C1 P04150 10/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 5/20 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
SCHEMBL4710553 0.88 CNR1 (0.33) KMT2ANPC1RAB9ANR3C1CNR1
SCHEMBL4711808 0.81 NR3C1 (0.33) NR3C1CNR1
SCHEMBL4124704 0.80 DGAT2 (0.47)
SCHEMBL4121556 0.80 DGAT2 (0.47)
SCHEMBL4115680 0.80 DGAT2 (0.47)
SCHEMBL1754318 0.78 KMT2A (0.40) KMT2AMEN1NPC1RAB9ANTRK1
SCHEMBL1754393 0.77 CNR2 (0.41) KMT2AMEN1NPC1RAB9ANTRK1
SCHEMBL1753988 0.76 CNR1 (0.48) KMT2AMEN1NPC1RAB9ANTRK1
SCHEMBL2084475 0.76 CNR1 (0.48) KMT2AMEN1NPC1RAB9ANTRK1
SCHEMBL4709558 0.76 HCRTR1 (0.39) NR3C1

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-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 EP disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed