SCHEMBL16332011

SCHEMBL16332011

CNc1nc2cnc(Nc3ccc(C(=O)OC)cc3)cc2n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ IDH1 O75874 1/20 0.41

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
SCHEMBL16331252 0.89 JAK3 (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16332558 0.87 CYP1A2 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16331787 0.85 MAPK9 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16332832 0.82 PIK3CA (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16332193 0.82 PIK3CA (0.46) IDH1AURKAFLT3
SCHEMBL16331602 0.82 FLT3 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16332602 0.80 GABRG2 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16332328 0.80 MEN1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16331454 0.80 BRAF (0.49) MEN1KMT2APOLBFLT3
SCHEMBL16332572 0.79 PIK3CA (0.48) MAPTMEN1KMT2APOLBABCG2

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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