SCHEMBL16332223

SCHEMBL16332223

CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1Cc1ccc(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRAF P15056 5/20 0.40
▸ TGFBR1 P36897 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL16331960 0.93 CSF1R (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16332292 0.90 BRAF (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16332134 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16332551 0.87 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16332185 0.87 PTK2 (0.52) SMN1; SMN2LMNABRAFTGFBR1MEN1
SCHEMBL16332395 0.86 LMNA (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16332494 0.86 LMNA (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16331531 0.86 CSF1R (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16331586 0.85 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16332658 0.85 PDGFRB (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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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