SCHEMBL3645153

SCHEMBL3645153

COc1cc2c(cc1[N+](=O)[O-])CN(C(=O)C(C)(C)N)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.46
ABCB1 P08183 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL29791407 0.88 ESR1 (0.57) MAPTPOLBMAPK1LMNAHTT
SCHEMBL24729529 0.88 ESR1 (0.57) MAPTPOLBMAPK1LMNAHTT
SCHEMBL18760000 0.88 ESR1 (0.57) MAPTPOLBMAPK1LMNAHTT
SCHEMBL11302030 0.86 ESR2 (0.55) MAPTPOLBCA1CA2CA7
SCHEMBL29800975 0.86 ESR2 (0.55) MAPTPOLBCA1CA2CA7
SCHEMBL15755220 0.86 ESR2 (0.55) MAPTPOLBCA1CA2CA7
SCHEMBL30468447 0.86 ESR2 (0.55) MAPTPOLBCA1CA2CA7
SCHEMBL17197304 0.85 MAPT (0.56) MAPTPOLBCA1CA2CA7
SCHEMBL17197257 0.85 MAPT (0.56) MAPTPOLBCA1CA2CA7
SCHEMBL11318782 0.85 MAPT (0.56) MAPTPOLBCA1CA2CA7

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-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed