SCHEMBL16331533

SCHEMBL16331533

CNc1nc2cnc(Nc3ccc(NC(C)=O)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.54
▸ FLT3 P36888 3/20 0.47
▸ PIK3CA P42336 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ MAPT P10636 1/20 0.41
▸ TOP1 P11387 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ MAOB P27338 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
SCHEMBL16331561 0.92 BRAF (0.56) BRAFFLT3PIK3CAMTORPRKDC
SCHEMBL16331973 0.89 BRAF (0.51) BRAFFLT3PIK3CAMTORPRKDC
SCHEMBL16332689 0.88 MEN1 (0.51) BRAFFLT3PIK3CAMTORPRKDC
SCHEMBL16331745 0.86 BRAF (0.42) BRAFEGFRKDRMEN1KMT2A
SCHEMBL16332023 0.84 SMN1; SMN2 (0.42) BRAFEGFRKDRMEN1KMT2A
SCHEMBL16331795 0.82 BRAF (0.43) BRAFPIK3CAMTORPRKDCEGFR
SCHEMBL16331388 0.82 BRD4 (0.51) FLT3EGFRKDRFYN
SCHEMBL16332766 0.81 PIK3CA (0.44) BRAFPIK3CAPRKDCMAPTEGFR
SCHEMBL16331719 0.81 EGFR (0.42) BRAFEGFRKDR
SCHEMBL16331454 0.81 BRAF (0.49) BRAFFLT3EGFRKDRMEN1

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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