SCHEMBL1417695

SCHEMBL1417695

CS(=O)(=O)OCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.75
▸ EGFR P00533 17/20 0.72
▸ ERBB2 P04626 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ GAK O14976 1/20 0.55
▸ MAPK13 O15264 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ EPHB2 P29323 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAPK12 P53778 1/20 0.55

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
SCHEMBL4968920 0.97 FBP1 (0.72) FBP1EGFRERBB2KDM4EGAK
SCHEMBL4968868 0.97 FBP1 (0.72) FBP1EGFRERBB2KDM4EGAK
SCHEMBL4967305 0.97 FBP1 (0.72) FBP1EGFRERBB2KDM4EGAK
SCHEMBL1418085 0.96 FBP1 (0.74) FBP1EGFRERBB2KDM4EGAK
SCHEMBL1418026 0.96 FBP1 (0.74) FBP1EGFRERBB2KDM4EGAK
SCHEMBL5147122 0.89 FBP1 (0.65) FBP1EGFRERBB2ERBB4
SCHEMBL4967582 0.87 FBP1 (0.57) FBP1EGFRERBB2KDRABCG2
SCHEMBL5115813 0.87 FBP1 (0.57) FBP1EGFRERBB2KDRABCG2
SCHEMBL5123093 0.87 FBP1 (0.57) FBP1EGFRERBB2KDRABCG2
SCHEMBL13699309 0.87 FBP1 (0.67) 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 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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