SCHEMBL3799415

SCHEMBL3799415

CCCN1CCC(c2ccc(Nc3cc4c(Nc5cc(F)cc(F)c5C(N)=O)cncc4[nH]3)c(OC)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.52
▸ GRK2 P25098 2/20 0.52
▸ GRK5 P34947 2/20 0.52
▸ CAMK2D Q13557 3/20 0.45
▸ MAPK8 P45983 2/20 0.43
▸ GRK1 Q15835 1/20 0.43
▸ PARP1 P09874 2/20 0.41
▸ PTK2 Q05397 4/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ ALK Q9UM73 4/20 0.39
▸ INSR P06213 2/20 0.37
▸ NPM1 P06748 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ SCN5A Q14524 1/20 0.36

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
SCHEMBL3749350 0.92 IGF1R (0.50) IGF1RGRK2GRK5CAMK2DMAPK8
SCHEMBL3803128 0.90 IGF1R (0.64) IGF1RGRK2GRK5CAMK2DPARP1
SCHEMBL3804163 0.89 IGF1R (0.54) IGF1RGRK2GRK5CAMK2DMAPK8
SCHEMBL3257447 0.86 IGF1R (0.63) IGF1RGRK2GRK5CAMK2DPARP1
SCHEMBL3265807 0.84 IGF1R (0.51) IGF1RGRK2GRK5CAMK2DPARP1
SCHEMBL3761408 0.82 IGF1R (0.66) IGF1RGRK2GRK5CAMK2DPARP1
SCHEMBL3798693 0.81 IGF1R (0.50) IGF1RGRK2GRK5CAMK2DMAPK8
SCHEMBL3267799 0.81 IGF1R (0.45) IGF1RGRK2GRK5CAMK2DALK
SCHEMBL3686711 0.80 IGF1R (0.50) IGF1RGRK2GRK5CAMK2DMAPK8
SCHEMBL12429577 0.79 IGF1R (0.81) IGF1RGRK2GRK5MAPK8GRK1

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
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