SCHEMBL16331787

SCHEMBL16331787

CNc1nc2cnc(Nc3ccc(OC)cc3)cc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 2/20 0.51
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ PDGFRB P09619 2/20 0.47
▸ PDGFRA P16234 2/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ ABCB11 O95342 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PIK3CA P42336 2/20 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
SCHEMBL16332328 0.89 MEN1 (0.51) MEN1KMT2ARAB9ANPC1PDGFRB
SCHEMBL16332767 0.89 MAPK9 (0.45) MAPK9MEN1KMT2ARAB9ANPC1
SCHEMBL16331602 0.87 FLT3 (0.44) MAPK9MEN1KMT2ARAB9ANPC1
SCHEMBL16332689 0.86 MEN1 (0.51) MAPK9MEN1KMT2ARAB9ANPC1
SCHEMBL16331858 0.86 APP (0.44) MAPK9MEN1KMT2ARAB9ANPC1
SCHEMBL16332011 0.85 MAPT (0.43) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL16331454 0.85 BRAF (0.49) MEN1KMT2AIGF1R
SCHEMBL16332193 0.83 PIK3CA (0.46) PIK3CAPRKDCMTOR
SCHEMBL16332496 0.82 GABRG2 (0.47) MAPK9MEN1KMT2ARAB9ANPC1
SCHEMBL16331252 0.82 JAK3 (0.46) MEN1KMT2ARAB9ANPC1HDAC6

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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