SCHEMBL5532018

SCHEMBL5532018

COc1cc2c(nc1OC)c(-c1cc3c(CNCCNC(=O)OC(C)(C)C)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
PDPK1 O15530 1/20 0.34
CCNB2 O95067 1/20 0.34
PRKCB P05771 1/20 0.34
CDK1 P06493 1/20 0.34
LYN P07948 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CCNA1 P78396 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
SUV39H2 Q9H5I1 5/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
BRD4 O60885 5/20 0.32
CYP2D6 P10635 1/20 0.32
CFTR P13569 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL2996394 0.92 PTGDR2 (0.34) PTGDR2
SCHEMBL5540138 0.87 NAMPT (0.36) SUV39H2CFTRNSD2
SCHEMBL2994855 0.87 PTGDR2 (0.36) PTGDR2
SCHEMBL2991812 0.86 TGFBR1 (0.38) SUV39H2CCNT1CDK9
SCHEMBL2984632 0.86 PTGDR2 (0.34) PTGDR2PIM1PIM2
SCHEMBL2993803 0.84 NAMPT (0.34) SUV39H2CCNT1CDK9BRD4CFTR
SCHEMBL2993743 0.84 EED (0.30)
SCHEMBL2995941 0.84 PTGDR2 (0.36) PTGDR2PIM1PIM2
SCHEMBL2987048 0.83 BRD4 (0.35) SUV39H2CCNT1CDK9BRD4CFTR
SCHEMBL2988302 0.83 MBTD1 (0.34)

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