SCHEMBL7470693

SCHEMBL7470693

O=CN1CCN(c2cc3ncnc(NCCc4ccc(F)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.45
MAPK1 P28482 3/20 0.39
BCL2L1 Q07817 1/20 0.39
USP10 Q14694 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
USP13 Q92995 1/20 0.38
AURKA O14965 3/20 0.38
HRH4 Q9H3N8 1/20 0.38
PDE5A O76074 1/20 0.37
NTRK1 P04629 1/20 0.37
PRKCQ Q04759 1/20 0.37
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
APP P05067 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
STAT3 P40763 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7458966 0.92 MAPK1 (0.47) HTTMAPK1AURKAHRH4EGFR
SCHEMBL7470593 0.91 HTT (0.50) HTTMAPK1HRH4PDE5ANTRK1
SCHEMBL7475282 0.91 USP10 (0.48) HTTUSP10PIK3C3USP13EGFR
SCHEMBL7464890 0.90 HRH4 (0.48) HTTMAPK1HRH4PDE5ALMNA
SCHEMBL7469384 0.88 HTT (0.46) HTTMAPK1USP10PIK3C3USP13
SCHEMBL7470361 0.86 HTT (0.45) HTTMAPK1USP10PIK3C3USP13
SCHEMBL7469367 0.85 MAPT (0.44) HTTMAPK1USP10PIK3C3USP13
SCHEMBL7464425 0.83 HRH4 (0.41) HTTMAPK1HRH4EGFRLMNA
SCHEMBL7475664 0.83 EGFR (0.55) HTTMAPK1EGFRLMNAMAPT
SCHEMBL7471389 0.83 MAPT (0.41) HTTUSP10PIK3C3USP13EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed