SCHEMBL7465353

SCHEMBL7465353

CCN1CCN(c2cc3ncnc(NCc4ccc(F)cc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.50
ERBB2 P04626 2/20 0.50
USP10 Q14694 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
USP13 Q92995 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MET P08581 1/20 0.45
HTT P42858 2/20 0.45
HTR6 P50406 1/20 0.44
CTNNB1 P35222 2/20 0.44
TCF7L2 Q9NQB0 2/20 0.44
WDR5 P61964 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7473166 0.91 HTR6 (0.55) EGFRERBB2USP10PIK3C3USP13
SCHEMBL7475282 0.88 USP10 (0.48) EGFRERBB2USP10PIK3C3USP13
SCHEMBL7463091 0.87 USP10 (0.50) EGFRERBB2USP10PIK3C3USP13
SCHEMBL7466238 0.86 USP10 (0.48) EGFRERBB2USP10PIK3C3USP13
SCHEMBL7466273 0.85 PDE5A (0.57) ALDH1A1KMT2A
SCHEMBL7473662 0.84 USP10 (0.47) EGFRERBB2USP10PIK3C3USP13
SCHEMBL7470182 0.82 HTT (0.50) MAPTLMNAALDH1A1HTTWDR5
SCHEMBL7471194 0.82 MAPK1 (0.48) EGFRMAPTLMNAALDH1A1HTT
SCHEMBL7464890 0.82 HRH4 (0.48) MAPTLMNAALDH1A1HTTHTR6
SCHEMBL7469571 0.81 EGFR (0.56) EGFRMAPTLMNAALDH1A1HTT

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