SCHEMBL8477172

SCHEMBL8477172

COc1ccc2c(c1)c(C1=CC(=O)N(c3cn(CCC#N)c4cc(OC)c(OC)cc34)C1=O)cn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 4/20 0.35
GSK3B P49841 3/20 0.34
PRKCA P17252 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
JAK2 O60674 1/20 0.33
LCK P06239 1/20 0.33
IGF1R P08069 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL8466339 0.86 CCNT1 (0.44) MYLKGSK3BPRKCACCNT1CDK9
SCHEMBL8477176 0.79 MYLK (0.35) MYLKGSK3BPRKCACDK9ADRB2
SCHEMBL8113582 0.79 GSK3B (0.55) MYLKGSK3BPRKCA
SCHEMBL8477960 0.78 CCNT1 (0.42) GSK3BPRKCACCNT1CDK9MEN1
SCHEMBL8467099 0.73 HTR2C (0.38) MYLKGSK3BPRKCAMEN1USP2
SCHEMBL8477363 0.72 MYLK (0.38) MYLKGSK3BPRKCACCNT1CDK9
SCHEMBL8122760 0.71 GSK3B (0.54) MYLKGSK3BPRKCACCNT1CDK9
SCHEMBL8124325 0.69 GSK3B (0.61) GSK3BPRKCACCNT1CDK9
SCHEMBL8122774 0.68 PRKCA (0.63) GSK3BPRKCACCNT1CDK9
SCHEMBL8113347 0.68 PRKCA (0.63) GSK3BPRKCACCNT1CDK9

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
US-5945440-A Indolocarbazole imides and the use thereof GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-08-31 US disclosed