SCHEMBL16332080

SCHEMBL16332080

CC(=O)Nc1ccc(Nc2cc3c(cn2)nc(NCc2ccccc2)n3C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ JAK3 P52333 4/20 0.46
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ FLT3 P36888 1/20 0.45
▸ DDX3X O00571 1/20 0.44
▸ BRAF P15056 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 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
SCHEMBL16332326 0.92 GABRG2 (0.52) PIK3CAMTORPRKDCEGFRJAK3
SCHEMBL16331599 0.91 PIK3CA (0.44) PIK3CAMTORPRKDCJAK3FLT3
SCHEMBL16332161 0.85 CYP1A2 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL16331299 0.85 RAB9A (0.47) PIK3CAMTORPRKDCFLT3BRAF
SCHEMBL16331860 0.85 PIK3CA (0.47) PIK3CAMTORPRKDCJAK2PTPN1
SCHEMBL16332216 0.84 PIK3CA (0.49) PIK3CAMTORPRKDCJAK3IRAK4
SCHEMBL16332725 0.84 MAPT (0.54) LMNAMAPTKMT2ARAB9AMEN1
SCHEMBL16331914 0.82 PIK3CA (0.46) PIK3CAMTORPRKDCJAK3JAK1
SCHEMBL16332047 0.82 PIK3CA (0.46) PIK3CAMTORPRKDCJAK3IRAK4
SCHEMBL16332882 0.81 FLT3 (0.50) PIK3CAMTORPRKDCFLT3BRAF

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-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
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