SCHEMBL5796367

SCHEMBL5796367

COc1cc2c(-c3ccc[nH]3)cn(C)c2cc1OCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
IGF1R P08069 1/20 0.44
SYK P43405 1/20 0.43
SRC P12931 4/20 0.42
EGFR P00533 3/20 0.42
KIT P10721 1/20 0.42
KDR P35968 3/20 0.42
EPHA2 P29317 1/20 0.42
EPHB4 P54760 1/20 0.42
CHEK1 O14757 2/20 0.42
MAOB P27338 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL5798073 0.90 IGF1R (0.45) IGF1RSRCEGFRKITKDR
SCHEMBL5794891 0.84 IGF1R (0.50) IGF1RKDRFGFR1FLT1
SCHEMBL5794201 0.83 IGF1R (0.49) IGF1RKDRFLT4
SCHEMBL5793291 0.82 IGF1R (0.56) BRD4IGF1RKDRFLT4
SCHEMBL1748777 0.81 IGF1R (0.73) IGF1RSYKSRCEGFRKIT
SCHEMBL5795129 0.76 GSK3B (0.42) IGF1RKDRCHEK1HTR2CHTR2B
SCHEMBL5818753 0.74 IGF1R (0.47) BRD4IGF1RKDRFLT4
SCHEMBL5794232 0.74 BRD4 (0.42) BRD4SYKSRCEGFRKIT
SCHEMBL5794288 0.74 EGFR (0.42) IGF1RSRCEGFRKITKDR
SCHEMBL1748771 0.72 IGF1R (0.75) IGF1RSYKSRCEGFRKIT

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