SCHEMBL6269629

SCHEMBL6269629

Cc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(OC(F)F)cc3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccs3)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.55
BCR P11274 12/20 0.55
PDGFRB P09619 5/20 0.55
KDR P35968 4/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
PDGFRA P16234 5/20 0.54
KIT P10721 3/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
LCK P06239 1/20 0.54

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
SCHEMBL717930 0.92 ABL1 (0.63) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL717479 0.91 ABL1 (0.65) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL716620 0.86 GAA (0.59) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL717529 0.82 ABL1 (0.69) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL4825993 0.82 ABL1 (0.70) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL5497220 0.82 ABL1 (0.54) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL718480 0.82 ABL1 (0.66) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL716468 0.81 ABL1 (0.68) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL714550 0.81 ABL1 (0.62) ABL1BCRPDGFRBKDRHDAC3
SCHEMBL14030536 0.81 ABL1 (0.65) ABL1BCRPDGFRBKDRHDAC3

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
WO-2005115385-A1 USE OF C-KIT INHIBITORS FOR TREATING ACNE AB SCIENCE (FR) 2005-12-08 WO disclosed
WO-2005102318-A1 USE OF C-KIT INHIBITORS FOR TREATING HIV RELATED DISEASES AB SCIENCE (FR) 2005-11-03 WO disclosed