SCHEMBL7848642

SCHEMBL7848642

CC(C)COC(=O)N1CCC(CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.59
▸ EGFR P00533 17/20 0.56
▸ HDAC3 O15379 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL1417927 0.90 FBP1 (0.61) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL7848130 0.89 FBP1 (0.60) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL3574352 0.86 FBP1 (0.69) FBP1EGFRKDR
SCHEMBL1417823 0.86 FBP1 (0.60) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL1418159 0.84 FBP1 (0.64) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL1418029 0.83 FBP1 (0.62) FBP1EGFRKDR
SCHEMBL3584717 0.83 FBP1 (0.68) FBP1EGFRKDR
SCHEMBL1417871 0.82 FBP1 (0.68) FBP1EGFRKDR
SCHEMBL1417778 0.81 FBP1 (0.63) FBP1EGFRHDAC3KDRHDAC4
SCHEMBL1419005 0.79 FBP1 (0.62) FBP1EGFR

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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