SCHEMBL16332845

SCHEMBL16332845

Cn1c(Nc2ccccc2)nc2cnc(Nc3ccc(S(C)(=O)=O)cc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.51
▸ PRKDC P78527 3/20 0.51
▸ TNNI3K Q59H18 1/20 0.45
▸ MTOR P42345 1/20 0.44
▸ FGFR1 P11362 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ FYN P06241 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ ACSS2 Q9NR19 1/20 0.41
▸ IDH1 O75874 3/20 0.41
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ ACVR1 Q04771 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
SCHEMBL16332219 0.88 FGFR1 (0.49) PIK3CAPRKDCFGFR1SRCHDAC6
SCHEMBL16332193 0.83 PIK3CA (0.46) PIK3CAPRKDCTNNI3KMTORFYN
SCHEMBL16331647 0.82 FGFR1 (0.48) PIK3CAPRKDCFGFR1SRCHDAC6
SCHEMBL16332041 0.80 PDE10A (0.44) PIK3CAPRKDCFGFR1SRCHDAC6
SCHEMBL16333060 0.79 PIK3CA (0.50) PIK3CAPRKDCMTORFGFR1SRC
SCHEMBL16332155 0.79 SRC (0.47) PIK3CAPRKDCFGFR1SRCHDAC6
SCHEMBL16332856 0.79 PDGFRB (0.50) PIK3CAPRKDCFYNNPC1RAB9A
SCHEMBL16331817 0.74 NPC1 (0.43) PIK3CAPRKDCMTORFGFR1SRC
SCHEMBL16331539 0.73 PIK3CA (0.47) PIK3CAPRKDCTNNI3KMTOREGFR
SCHEMBL7694121 0.73 CYP1A2 (0.63) PIK3CAPRKDCFGFR1SRC

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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