SCHEMBL1419978

SCHEMBL1419978

O=[N+]([O-])c1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCCO

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.76
▸ EGFR P00533 17/20 0.73
▸ HDAC3 O15379 2/20 0.58
▸ KDR P35968 2/20 0.58
▸ HDAC4 P56524 2/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC7 Q8WUI4 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC10 Q969S8 2/20 0.58
▸ HDAC11 Q96DB2 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC9 Q9UKV0 2/20 0.58
▸ HDAC5 Q9UQL6 2/20 0.58

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
SCHEMBL1417946 0.97 FBP1 (0.78) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL1418145 0.94 FBP1 (0.79) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL4967428 0.91 FBP1 (0.74) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL5115038 0.91 FBP1 (0.74) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL4966928 0.91 FBP1 (0.74) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL1418026 0.88 FBP1 (0.74) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL4968762 0.87 FBP1 (0.74) FBP1EGFRKDR
SCHEMBL4968390 0.87 FBP1 (0.74) FBP1EGFRKDR
SCHEMBL1418346 0.86 FBP1 (0.72) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL1418085 0.86 FBP1 (0.74) FBP1EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298746-A1 4-amino- quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 — — EP disclosed
US-6972288-B1 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-12-06 — — US disclosed
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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