SCHEMBL4092090

SCHEMBL4092090

Cc1ccc(N)cc1Nc1ncc(-c2cccnc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.60
ABL1 P00519 10/20 0.60
HDAC3 O15379 8/20 0.60
PDGFRB P09619 8/20 0.60
HDAC4 P56524 8/20 0.60
HDAC1 Q13547 8/20 0.60
HDAC7 Q8WUI4 8/20 0.60
HDAC2 Q92769 8/20 0.60
HDAC10 Q969S8 8/20 0.60
HDAC11 Q96DB2 8/20 0.60
HDAC8 Q9BY41 8/20 0.60
HDAC6 Q9UBN7 8/20 0.60
HDAC9 Q9UKV0 8/20 0.60
HDAC5 Q9UQL6 8/20 0.60
BCR P11274 2/20 0.60
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KIT P10721 2/20 0.45
FLT3 P36888 2/20 0.45

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
SCHEMBL30279950 1.00 KDR (0.60) KDRABL1HDAC3PDGFRBHDAC4
Hydrochloric Acid SCHEMBL4085037 0.98 KDR (0.58) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL30279956 0.81 KDR (0.57) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL4082500 0.81 KDR (0.57) KDRABL1HDAC3PDGFRBHDAC4
Bromide SCHEMBL4082630 0.80 KDR (0.56) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL31290952 0.79 GAA (0.79) ABL1BCRGAAMEN1KMT2A
SCHEMBL1096303 0.79 GAA (0.79) ABL1BCRGAAMEN1KMT2A
SCHEMBL22793758 0.79 ABL1 (0.70) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL2924553 0.77 ABL1 (0.64) KDRABL1PDGFRBBCRGAA
SCHEMBL4263754 0.76 ABL1 (0.60) KDRABL1HDAC3PDGFRBHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN claimed
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP disclosed