SCHEMBL5504454

SCHEMBL5504454

Cc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.66
BCR P11274 12/20 0.66
PDGFRB P09619 4/20 0.66
HDAC3 O15379 2/20 0.66
KDR P35968 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
KIT P10721 2/20 0.61
PDGFRA P16234 2/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
LCK P06239 1/20 0.61

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
SCHEMBL716834 0.96 ABL1 (0.69) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL716774 0.94 ABL1 (0.73) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL717539 0.92 GAA (0.62) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL715934 0.90 GAA (0.65) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL716887 0.89 ABL1 (0.65) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL718498 0.88 ABL1 (0.70) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL14586437 0.88 ABL1 (0.72) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL10082544 0.87 ABL1 (0.71) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL14286283 0.87 ABL1 (0.71) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL14030536 0.87 ABL1 (0.65) ABL1BCRPDGFRBHDAC3KDR

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-1758654-A1 USE OF C-KIT INHIBITORS FOR TREATING PLASMODIUM RELATED DISEASES AB Science (FR) 2007-03-07 EP disclosed
WO-2005115304-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBRODYSPLASIA AB SCIENCE (FR) 2005-12-08 WO disclosed
WO-2005115385-A1 USE OF C-KIT INHIBITORS FOR TREATING ACNE AB SCIENCE (FR) 2005-12-08 WO disclosed
WO-2005102455-A1 USE OF C-KIT INHIBITORS FOR TREATING PLASMODIUM RELATED DISEASES AB SCIENCE (FR) 2005-11-03 WO disclosed