SCHEMBL5531129

SCHEMBL5531129

COc1cc2c(nc1OC)c(-c1cc3c(CNCC(O)c4ccccc4)ccnc3[nH]1)cn2C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
EGFR P00533 3/20 0.37
CD274 Q9NZQ7 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
JAK2 O60674 1/20 0.34
LCK P06239 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
BTK Q06187 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AURKB Q96GD4 1/20 0.34
LMNA P02545 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL2991605 0.94 IGF1R (0.38) IGF1REGFRCD274
SCHEMBL5531384 0.86 EGFR (0.46) IGF1REGFRCD274
SCHEMBL2991608 0.86 IGF1R (0.37) IGF1REGFR
SCHEMBL2986378 0.83 IGF1R (0.41) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2985996 0.83 IGF1R (0.48) IGF1REGFRJAK2LCKGSK3A
SCHEMBL2994815 0.82 IGF1R (0.47) IGF1REGFRJAK2LCKGSK3A
SCHEMBL2996917 0.82 IGF1R (0.45) IGF1RJAK2LCKGSK3AGSK3B
Trifluoroacetic Acid SCHEMBL2994826 0.81 EGFR (0.42) IGF1REGFR
Trifluoroacetic Acid SCHEMBL2984463 0.81 IGF1R (0.40) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2982560 0.81 IGF1R (0.48) IGF1REGFRJAK2LCKGSK3A

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-1799691-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-06-27 EP disclosed
WO-2006037875-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-04-13 WO disclosed