SCHEMBL16331670

SCHEMBL16331670

CNc1nc2cnc(Nc3ccc(C#N)cc3)cc2n1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ FYN P06241 2/20 0.41
▸ ABCG2 Q9UNQ0 7/20 0.39
▸ ABCB1 P08183 4/20 0.39
▸ PIK3CD O00329 2/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ IDH1 O75874 4/20 0.36
▸ SYK P43405 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ ABCC1 P33527 1/20 0.33

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
SCHEMBL16332767 0.85 MAPK9 (0.45) PIK3CAPRKDCFYN
SCHEMBL16331838 0.83 NTRK1 (0.41) FYN
SCHEMBL16332799 0.81 KDM1A (0.37) FYNABCG2
SCHEMBL16331298 0.81 PIK3CA (0.44) PIK3CAPRKDCFYNABCG2PIK3CG
SCHEMBL16331865 0.80 BRAF (0.51) —
SCHEMBL16331614 0.79 GABRG2 (0.49) PIK3CAPRKDCABCG2PIK3CDPIK3CB
SCHEMBL16331980 0.79 PIK3CA (0.46) PIK3CAPRKDC
SCHEMBL16332768 0.75 FYN (0.43) PIK3CAPRKDCFYN
SCHEMBL16332000 0.74 BRAF (0.53) ABCG2
SCHEMBL16331787 0.74 MAPK9 (0.51) PIK3CAPRKDC

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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