SCHEMBL19733068

SCHEMBL19733068

Cn1cc(C2=C(c3cccc4c3cnn4CCCn3ccnc3)C(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.59
GSK3B P49841 14/20 0.56
QPCT Q16769 11/20 0.53

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
SCHEMBL1127704 0.86 IDH1 (0.70) IDH1GSK3BQPCT
SCHEMBL8163218 0.73 GSK3B (0.81) GSK3B
SCHEMBL1128498 0.72 GSK3B (0.52) IDH1GSK3B
SCHEMBL3781580 0.71 GSK3B (0.66) GSK3B
SCHEMBL5754334 0.70 GSK3B (0.67) IDH1GSK3B
SCHEMBL4689265 0.70 GSK3B (0.50) IDH1GSK3B
SCHEMBL4691089 0.70 GSK3B (0.50) IDH1GSK3B
SCHEMBL5757844 0.69 GSK3B (0.67) GSK3B
SCHEMBL5752565 0.69 GSK3B (0.54) IDH1GSK3B
SCHEMBL5754325 0.69 GSK3B (0.69) IDH1GSK3B

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-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP claimed