SCHEMBL7197086

SCHEMBL7197086

COc1ccc2c(c1)c(C1=C(c3cn(C)c4ccc(OC)cc34)C(=O)N(C)C1=O)cn2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.51
PRKCA P17252 4/20 0.51
LCK P06239 2/20 0.49
IGF1R P08069 2/20 0.49
GSK3A P49840 2/20 0.49
CDK7 P50613 2/20 0.49
LRRK2 Q5S007 2/20 0.49
AURKB Q96GD4 2/20 0.49
JAK2 O60674 1/20 0.49
BTK Q06187 1/20 0.49
ADRB2 P07550 1/20 0.49
FLT3 P36888 2/20 0.47
CDK9 P50750 2/20 0.47
AURKA O14965 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL7502631 0.84 GSK3B (0.70) GSK3BPRKCAKDR
SCHEMBL8154461 0.80 GSK3B (0.61) GSK3BPRKCAFLT3CDK9PLK4
SCHEMBL7260690 0.79 ADRB2 (0.49) GSK3BPRKCALCKIGF1RGSK3A
SCHEMBL7498380 0.79 GSK3B (0.65) GSK3BPRKCA
SCHEMBL8161651 0.79 GSK3B (0.80) GSK3BPRKCAKDR
SCHEMBL7502301 0.78 GSK3B (0.80) GSK3BPRKCAGSK3A
SCHEMBL28374335 0.77 GSK3B (0.48) GSK3BPRKCA
SCHEMBL7496292 0.75 GSK3B (0.58) GSK3BPRKCAKDR
SCHEMBL7498955 0.75 GSK3B (0.72) GSK3BPRKCAGSK3A
SCHEMBL7195024 0.74 CCNT1 (0.76) GSK3BPRKCAGSK3ACDK9PIM1

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
US-6589977-B1 Bisindolylpyrrole derivatives represented by general formula (I) which are useful in inhibiting cell death and expected as being useful as preventives and remedies for the progress of various diseases in the progress and worsening of which cell SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-07-08 US disclosed
EP-1152002-A1 PYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2001-11-07 EP disclosed