SCHEMBL16332572

SCHEMBL16332572

CNc1nc2cnc(Nc3cccc(O)c3)cc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.48
▸ MTOR P42345 13/20 0.48
▸ PIK3CD O00329 3/20 0.45
▸ PIK3CB P42338 3/20 0.45
▸ PIK3CG P48736 3/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ RAF1 P04049 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
SCHEMBL16332763 0.87 EGFR (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16332602 0.85 GABRG2 (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16332832 0.85 PIK3CA (0.48) PIK3CAMTORPRKDCTP53MAPT
SCHEMBL16331924 0.85 KDM1A (0.45) PIK3CAMTORABCG2MEN1KMT2A
SCHEMBL16332328 0.85 MEN1 (0.51) PIK3CAPRKDCTP53MAPTABCG2
SCHEMBL16331795 0.85 BRAF (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16332095 0.83 RAD52 (0.40) PIK3CAPRKDCRAD52KMT2A
SCHEMBL16331650 0.82 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16333060 0.82 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16331602 0.81 FLT3 (0.44) TP53MAPTABCG2MEN1POLB

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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