SCHEMBL7582378

SCHEMBL7582378

COc1ccc2c(C3=C(c4cn(C)c5cc(-n6ccnc6)ccc45)C(=O)NC3=O)cn(C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.53
QPCT Q16769 8/20 0.53
PRKCA P17252 5/20 0.53
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
IDH1 O75874 1/20 0.48

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
SCHEMBL7531023 0.87 CDK2 (0.62) GSK3BIDH1
SCHEMBL7524890 0.86 GSK3B (0.56) GSK3BQPCTIDH1
SCHEMBL7499657 0.84 GSK3B (0.70) GSK3BPRKCA
SCHEMBL7530543 0.83 GSK3B (0.45) GSK3BQPCTIDH1
SCHEMBL7990667 0.82 GSK3B (0.45) GSK3BQPCTIDH1
SCHEMBL7990678 0.79 GSK3B (0.59) GSK3BPRKCA
SCHEMBL7501398 0.78 GSK3B (0.79) GSK3BQPCTPRKCA
SCHEMBL8155150 0.78 PRKCA (0.80) GSK3BPRKCA
SCHEMBL7501399 0.78 GSK3B (0.59) GSK3BPRKCA
SCHEMBL7498988 0.77 GSK3B (0.61) GSK3BPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
EP-1242409-A2 SUBSTITUTED BISINDOLYLMALEIMIDES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6281356-B1 ANTICANRCER AGENTS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2001046178-A2 SUBSTITUIERTE BISINDOLYMALEIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2001-06-28 WO disclosed