SCHEMBL16331646

SCHEMBL16331646

CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 6/20 0.46
▸ GABRB3 P28472 6/20 0.46
▸ GABRA5 P31644 6/20 0.46
▸ MAP3K11 Q16584 1/20 0.44
▸ IDH1 O75874 1/20 0.38
▸ BRAF P15056 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ IGF1R P08069 2/20 0.37
▸ EGFR P00533 2/20 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
SCHEMBL16331677 0.83 BRAF (0.45) BRAFMEN1KMT2AIGF1REGFR
SCHEMBL16332276 0.82 GABRG2 (0.67) GABRG2GABRB3GABRA5
SCHEMBL16332292 0.81 BRAF (0.47) BRAFMEN1KMT2AIGF1REGFR
SCHEMBL16332223 0.81 SMN1; SMN2 (0.44) BRAFMEN1KMT2AIGF1REGFR
SCHEMBL16331745 0.79 BRAF (0.42) BRAFMEN1KMT2AIGF1REGFR
SCHEMBL16332185 0.78 PTK2 (0.52) BRAFMEN1KMT2AIGF1REGFR
SCHEMBL16331809 0.78 IGF1R (0.42) BRAFMEN1KMT2AIGF1REGFR
SCHEMBL16332447 0.78 PIK3CA (0.58) GABRG2GABRB3GABRA5
SCHEMBL16332664 0.77 GABRG2 (0.55) GABRG2GABRB3GABRA5IDH1EGFR
SCHEMBL16332413 0.77 RHOA (0.47) GABRG2GABRB3GABRA5EGFR

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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