SCHEMBL16332413

SCHEMBL16332413

CNc1nc2cnc(Nc3ccc4c(c3)OCCO4)cc2n1CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.47
▸ GABRG2 P18507 13/20 0.46
▸ GABRB3 P28472 13/20 0.46
▸ GABRA5 P31644 13/20 0.46
▸ ULK1 O75385 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ SYK P43405 1/20 0.37

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
SCHEMBL16331443 0.84 RHOA (0.51) RHOAABCB1ABCC1ABCG2
SCHEMBL16331810 0.83 RHOA (0.45) RHOAEGFRSYK
SCHEMBL16332414 0.82 GABRG2 (0.54) GABRG2GABRB3GABRA5EGFR
SCHEMBL16332371 0.81 RHOA (0.45) RHOA
SCHEMBL16332664 0.80 GABRG2 (0.55) GABRG2GABRB3GABRA5EGFR
SCHEMBL16332798 0.79 GABRG2 (0.46) GABRG2GABRB3GABRA5EGFR
SCHEMBL16332306 0.78 RHOA (0.54) RHOATRPV1ABCB1ABCC1ABCG2
SCHEMBL16332454 0.78 L3MBTL1 (0.44) RHOA
SCHEMBL16331385 0.78 FYN (0.49) GABRG2GABRB3GABRA5EGFR
SCHEMBL16332594 0.78 LMNA (0.40) RHOAGABRG2GABRB3GABRA5

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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