SCHEMBL16332276

SCHEMBL16332276

CNc1nc2cnc(Nc3ccc(OC)cc3OC)cc2n1CC1CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.67
▸ GABRB3 P28472 2/20 0.67
▸ GABRA5 P31644 2/20 0.67
▸ PIK3CA P42336 11/20 0.48
▸ PRKDC P78527 12/20 0.47
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ TTK P33981 3/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MTOR P42345 3/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL16332447 0.91 PIK3CA (0.58) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16332287 0.85 GABRG2 (0.57) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16331826 0.83 GABRG2 (0.50) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16331646 0.82 GABRG2 (0.46) GABRG2GABRB3GABRA5
SCHEMBL16332428 0.78 GABRG2 (0.50) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16332664 0.74 GABRG2 (0.55) GABRG2GABRB3GABRA5PIK3CAPRKDC
SCHEMBL16332413 0.73 RHOA (0.47) GABRG2GABRB3GABRA5
SCHEMBL16331891 0.73 GABRG2 (0.52) GABRG2GABRB3GABRA5PIK3CATTK
SCHEMBL16332798 0.73 GABRG2 (0.46) GABRG2GABRB3GABRA5GRIN1GRIN2B
SCHEMBL16331879 0.73 GABRG2 (0.45) 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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