SCHEMBL16331876

SCHEMBL16331876

CNc1nc2cnc(Nc3ccc(OC)nc3)cc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PRKDC P78527 1/20 0.39
▸ FYN P06241 3/20 0.39
▸ EGFR P00533 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL16331858 0.89 APP (0.44) MAPTNPC1MEN1KMT2APRKDC
SCHEMBL16332695 0.88 MAPT (0.42) MAPTPRKDCFYNEGFRPTK2
SCHEMBL16332025 0.86 PTK2 (0.52) PRKDCEGFRPTK2GAAL3MBTL1
SCHEMBL16331440 0.85 PRKDC (0.39) MAPTPRKDCFYNEGFRPTK2
SCHEMBL16332768 0.85 FYN (0.43) MAPTPRKDCFYNEGFRPIK3CA
SCHEMBL16332763 0.83 EGFR (0.43) MAPTMEN1KMT2APRKDCFYN
SCHEMBL16332291 0.82 FLT3 (0.45) PRKDCFYNEGFRPIK3CAMTOR
SCHEMBL16331710 0.81 AURKA (0.49) PRKDCFYNEGFRLCKMAT2A
SCHEMBL16332157 0.81 RHOA (0.45) MAPTPRKDCFYNEGFRCDK2
SCHEMBL16331879 0.81 GABRG2 (0.45) MAPTNPC1PRKDCEGFRPIK3CA

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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