SCHEMBL7849884

SCHEMBL7849884

CCC(Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.60
▸ EGFR P00533 15/20 0.57
▸ EPHA2 P29317 3/20 0.55
▸ ERBB2 P04626 1/20 0.46
▸ ERBB4 Q15303 1/20 0.46
▸ RAF1 P04049 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45

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
SCHEMBL1418029 0.88 FBP1 (0.62) FBP1EGFREPHA2ERBB2RAF1
SCHEMBL1418660 0.88 EGFR (0.61) FBP1EGFREPHA2ERBB2
SCHEMBL1417927 0.88 FBP1 (0.61) FBP1EGFREPHA2KDR
SCHEMBL1417823 0.87 FBP1 (0.60) FBP1EGFREPHA2KDR
SCHEMBL1419005 0.84 FBP1 (0.62) FBP1EGFREPHA2ERBB2
SCHEMBL1419031 0.83 FBP1 (0.61) FBP1EGFREPHA2ERBB2KDR
SCHEMBL7848642 0.79 FBP1 (0.59) FBP1EGFRKDR
SCHEMBL2995000 0.77 FBP1 (0.67) FBP1EGFRERBB2ERBB4KDR
SCHEMBL7852032 0.77 FBP1 (0.67) FBP1EGFRERBB2ERBB4KDR
SCHEMBL3574352 0.75 FBP1 (0.69) FBP1EGFREPHA2KDR

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-1157011-A1 4-AMINO- QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES Boehringer Ingelheim Pharma KG (DE) 2001-11-28 — — EP disclosed
WO-2000051991-A1 4-AMINO-QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANsSDUCTION MEDIATED BY TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-08 — — WO disclosed
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