SCHEMBL6803583

SCHEMBL6803583

O=[N+]([O-])c1cc(Br)cnc1Nc1cccc(-n2ccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
ABL1 P00519 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
SYK P43405 3/20 0.42
IDO1 P14902 1/20 0.41
JAK2 O60674 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3322069 0.77 EGFR (0.54) EGFRSYKJAK2MAPK1L3MBTL1
SCHEMBL10138757 0.77 GSK3B (0.56) EGFRJAK2MAPK1L3MBTL1TDP1
SCHEMBL13202019 0.76 KMT2A (0.53) EGFRJAK2MAPK1L3MBTL1TDP1
SCHEMBL6802199 0.76 EGFR (0.48) EGFRABL1BCRSRCPRKCA
SCHEMBL6801686 0.76 GAA (0.46) EGFRSYKJAK2MAPK1L3MBTL1
SCHEMBL2654269 0.75 EGFR (0.46) EGFRABL1PDGFRBBCRSRC
SCHEMBL8592858 0.71 ABL1 (0.67) EGFRABL1PDGFRBBCRSRC
SCHEMBL2655019 0.71 EGFR (0.43) EGFRABL1PDGFRBBCRSRC
SCHEMBL7124011 0.70 ABL1 (0.49) EGFRABL1PDGFRBBCRSRC
SCHEMBL2649704 0.70 ABL1 (0.45) EGFRABL1PDGFRBBCRSRC

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
US-6723735-B1 TREATMENT OR PREVENTION OF ANXIETY MERCK SHARP & DOHME LTD. 2004-04-20 US disclosed
EP-1214319-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-11-26 EP disclosed