SCHEMBL16332695

SCHEMBL16332695

CNc1nc2cnc(Nc3ccc(OC)c(OC)c3)cc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ ABCG2 Q9UNQ0 4/20 0.41
▸ EGFR P00533 3/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ CTSC P53634 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ PLK1 P53350 2/20 0.38
▸ ULK1 O75385 1/20 0.38

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
SCHEMBL16331440 0.92 PRKDC (0.39) MAPTPTK2PRKDCABCG2EGFR
SCHEMBL16332025 0.91 PTK2 (0.52) PTK2PRKDCEGFRPSEN1PSEN2
SCHEMBL16331858 0.89 APP (0.44) MAPTPRKDCEGFRSMN1; SMN2FYN
SCHEMBL16331876 0.88 MAPT (0.45) MAPTPTK2PRKDCEGFRPSEN1
SCHEMBL16331602 0.87 FLT3 (0.44) MAPTABCG2SMN1; SMN2FYNPLK1
SCHEMBL16332768 0.85 FYN (0.43) MAPTPRKDCEGFRFYNCYP1A2
SCHEMBL16332763 0.84 EGFR (0.43) MAPTPRKDCABCG2EGFRFYN
SCHEMBL16331879 0.84 GABRG2 (0.45) MAPTPTK2PRKDCEGFRPSEN1
SCHEMBL16331710 0.83 AURKA (0.49) PRKDCEGFRCTSCFYNKDM4E
SCHEMBL16332157 0.82 RHOA (0.45) MAPTPRKDCEGFRMAPK1SMN1; SMN2

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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