SCHEMBL27906493

SCHEMBL27906493

O=C(Nc1ncnc2cc(O)c([N+](=O)[O-])cc12)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.55
▸ FBP1 P09467 1/20 0.51
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27906513 0.89 EGFR (0.54) EGFRFBP1MAPTALDH1A1AURKB
SCHEMBL27442491 0.89 EGFR (0.68) EGFRFBP1MAPTAURKBKDM4E
SCHEMBL28109591 0.83 EGFR (0.66) EGFRMAPTMEN1ALDH1A1TNF
SCHEMBL27441184 0.79 EGFR (0.60) EGFRFBP1ABCG2AURKBKDM4E
Hydrochloric Acid SCHEMBL28040048 0.77 AURKB (0.58) EGFRFBP1MAPTMAPK1ABCG2
SCHEMBL27544914 0.76 EGFR (0.62) EGFRABCG2AURKBKDM4E
SCHEMBL30820443 0.73 EGFR (0.63) EGFRFBP1MAPTMEN1ALDH1A1
SCHEMBL20637508 0.73 EGFR (0.58) EGFRFBP1MAPTMEN1ALDH1A1
SCHEMBL29168705 0.73 EGFR (0.63) EGFRFBP1MAPTMEN1ALDH1A1
SCHEMBL7216285 0.71 EGFR (1.00) EGFRFBP1

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
CN-102875570-B Quinazoline derivant and its production and use ZHEJIANG UNIVERSITY (CN) 2015-11-04 — — CN disclosed
CN-102875570-A Quinazoline derivative, and preparation method and application thereof UNIV ZHEJIANG 2013-01-16 — — CN disclosed
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