SCHEMBL16332664

SCHEMBL16332664

CNc1nc2cnc(Nc3ccc(NC(C)=O)cc3)cc2n1CC1CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 11/20 0.55
▸ GABRB3 P28472 11/20 0.55
▸ GABRA5 P31644 11/20 0.55
▸ PIK3CA P42336 2/20 0.48
▸ PRKDC P78527 2/20 0.48
▸ MTOR P42345 1/20 0.48
▸ FLT3 P36888 2/20 0.44
▸ EGFR P00533 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ IDH1 O75874 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
SCHEMBL16332930 0.92 GABRG2 (0.68) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16331495 0.82 CYP1A2 (0.53) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16332414 0.81 GABRG2 (0.54) GABRG2GABRB3GABRA5EGFR
SCHEMBL16331385 0.81 FYN (0.49) GABRG2GABRB3GABRA5FLT3EGFR
SCHEMBL16332413 0.80 RHOA (0.47) GABRG2GABRB3GABRA5EGFR
SCHEMBL16331723 0.79 BRAF (0.43) PIK3CAPRKDCMTORFLT3EGFR
SCHEMBL16332798 0.78 GABRG2 (0.46) GABRG2GABRB3GABRA5FLT3EGFR
SCHEMBL16331646 0.77 GABRG2 (0.46) GABRG2GABRB3GABRA5EGFRIDH1
SCHEMBL16331626 0.75 GABRG2 (0.52) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16332276 0.74 GABRG2 (0.67) GABRG2GABRB3GABRA5PIK3CAPRKDC

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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