SCHEMBL5698561

SCHEMBL5698561

c1ccc(-c2nccn2-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.62
MAPK10 P53779 1/20 0.62
KDR P35968 13/20 0.54
NOTUM Q6P988 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX4 Q99571 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
ESR1 P03372 1/20 0.41

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
Benzene SCHEMBL27839441 0.90 MAPK9 (0.54) MAPK9MAPK10KDRP2RX4FLT1
SCHEMBL528245 0.90 MAPK9 (0.54) MAPK9MAPK10KDRP2RX4FLT1
SCHEMBL19219071 0.89 MAPK9 (0.63) MAPK9MAPK10KDRNOTUMMAPKAPK2
Hydrochloric Acid SCHEMBL27683877 0.89 MAPK9 (0.53) MAPK9MAPK10KDRP2RX4FLT1
SCHEMBL11395368 0.84 MAPK9 (0.54) MAPK9MAPK10KDRMAPKAPK2P2RX4
Pyridine SCHEMBL14877258 0.84 MAPK9 (0.54) MAPK9MAPK10KDRMAPKAPK2MAPT
SCHEMBL26562756 0.84 KDR (0.55) MAPK9MAPK10KDRMAPTP2RX4
SCHEMBL15987568 0.82 MAPK9 (0.48) MAPK9MAPK10KDRP2RX4FLT1
SCHEMBL13772768 0.82 MAPK9 (0.51) MAPK9MAPK10KDRP2RX4FLT1
SCHEMBL20918400 0.82 MAPK9 (0.51) MAPK9MAPK10KDRMAPTP2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255406-C Substituted 2-acyl-3-(heteroaryl)-imidazo [1,2-a] pyrimidines, and related pharmaceutical compoistions and methods ORTHO MCNEIL PHARM INC (US) 2006-05-10 CN claimed
CN-1342162-A Substituted 2-acyl-3-(heteroaryl)-imidazo [1,2-a] pyrimidines, and related pharmaceutical compoistions and methods ORTHO MCNEIL PHARM INC (US) 2002-03-27 CN claimed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed