SCHEMBL27442491

SCHEMBL27442491

Nc1cc2ncnc(NC(=O)c3cccc(Br)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.68
▸ FBP1 P09467 2/20 0.50
▸ MAPT P10636 1/20 0.44
▸ AURKB Q96GD4 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL27906493 0.89 EGFR (0.55) EGFRFBP1MAPTAURKBKDM4E
SCHEMBL27906513 0.88 EGFR (0.54) EGFRFBP1MAPTAURKBKDM4E
SCHEMBL27441184 0.87 EGFR (0.60) EGFRFBP1AURKBAURKAPDGFRB
SCHEMBL28109591 0.82 EGFR (0.66) EGFRMAPTKDM4E
SCHEMBL7222247 0.81 EGFR (1.00) EGFRFBP1ERBB2
SCHEMBL27544914 0.79 EGFR (0.62) EGFRAURKBPDGFRBKDM4EERBB2
Hydrochloric Acid SCHEMBL28040048 0.72 AURKB (0.58) EGFRFBP1MAPTAURKBAURKA
SCHEMBL7216285 0.70 EGFR (1.00) EGFRFBP1ERBB2
SCHEMBL1418279 0.68 EGFR (0.77) EGFRFBP1
SCHEMBL20127275 0.68 EGFR (0.72) EGFRFBP1MAPTAURKBAURKA

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-1137100-C Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family ��ʲ 2004-02-04 — — CN disclosed
CN-1139430-A Tricyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family WARNER LAMBERT CO (US) 1997-01-01 — — CN disclosed
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