SCHEMBL5793403

SCHEMBL5793403

COc1cc2c(-c3cc4c(C(Nc5ccnn5C)S(=O)(=O)c5ccc(C)cc5)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.47
JAK2 O60674 1/20 0.37
LCK P06239 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37
BTK Q06187 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AURKB Q96GD4 1/20 0.37
CCNT1 O60563 17/20 0.36
CDK9 P50750 17/20 0.36
TP53 P04637 1/20 0.32

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 SCHEMBL1748806 0.94 IGF1R (0.42) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1748803 0.88 IGF1R (0.51) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1748812 0.85 IGF1R (0.49) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL2634042 0.84 IGF1R (0.53) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1748967 0.84 IGF1R (0.48) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749481 0.84 IGF1R (0.43) IGF1RCCNT1CDK9
SCHEMBL1749151 0.83 IGF1R (0.47) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749209 0.83 IGF1R (0.49) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1749203 0.83 IGF1R (0.44) IGF1RJAK2LCKGSK3AGSK3B
SCHEMBL1750569 0.83 IGF1R (0.44) IGF1RJAK2LCKGSK3AGSK3B

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-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO disclosed