SCHEMBL16333060

SCHEMBL16333060

Cn1c(Nc2ccccc2)nc2cnc(Nc3cccc(O)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.50
▸ MTOR P42345 11/20 0.50
▸ PRKDC P78527 1/20 0.50
▸ PIK3CD O00329 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDR P35968 1/20 0.45
▸ PLK1 P53350 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL16332219 0.90 FGFR1 (0.49) PIK3CAPRKDCTP53CYP3A4TSHR
SCHEMBL16332047 0.87 PIK3CA (0.46) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL16331647 0.84 FGFR1 (0.48) PIK3CAPRKDCCYP3A4TSHRGAA
SCHEMBL16332041 0.82 PDE10A (0.44) PIK3CAPRKDCCYP3A4TSHRGAA
SCHEMBL16332572 0.82 PIK3CA (0.48) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL16332155 0.81 SRC (0.47) PIK3CAPRKDCTP53CYP3A4TSHR
SCHEMBL16332856 0.81 PDGFRB (0.50) PIK3CAPRKDCTP53KDRPLK1
SCHEMBL16332865 0.80 PIK3CA (0.43) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL16331650 0.79 PIK3CA (0.44) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL16332845 0.79 PIK3CA (0.51) PIK3CAMTORPRKDCFGFR1SRC

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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