SCHEMBL27688012

SCHEMBL27688012

COc1cc2c(-c3cc4c(CN5CCC5)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.58
LCK P06239 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
CDK7 P50613 2/20 0.45
LRRK2 Q5S007 2/20 0.45
AURKB Q96GD4 2/20 0.45
JAK2 O60674 1/20 0.45
BTK Q06187 1/20 0.45
CDK9 P50750 17/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CCNT1 O60563 15/20 0.38
AURKA O14965 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL1749647 0.93 IGF1R (0.57) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749213 0.90 IGF1R (0.54) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749105 0.89 IGF1R (0.51) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749790 0.88 IGF1R (0.56) IGF1RLCKGSK3AGSK3BCDK7
Hydrochloric Acid SCHEMBL1749137 0.86 IGF1R (0.53) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749523 0.85 IGF1R (0.64) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748818 0.85 IGF1R (0.64) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748739 0.84 IGF1R (0.57) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749488 0.83 IGF1R (0.55) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748882 0.83 IGF1R (0.54) IGF1RLCKGSK3AGSK3BCDK7

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
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 CN disclosed