SCHEMBL5159104

SCHEMBL5159104

Cc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1Cc1nc(-c2cccnc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
DYRK1B Q9Y463 2/20 0.45
CLK1 P49759 1/20 0.45
HASPIN Q8TF76 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ABL1 P00519 4/20 0.42
GLA P06280 1/20 0.41
PDGFRB P09619 2/20 0.41
BCR P11274 2/20 0.41
SRC P12931 2/20 0.41
PDGFRA P16234 2/20 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
SCHEMBL716174 0.90 KDM4E (0.54) DYRK1ADYRK1BCLK1HASPINRAB9A
SCHEMBL5159113 0.84 VCP (0.40) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL714193 0.83 GAA (0.58) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL5159101 0.82 VCP (0.39) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL716307 0.78 KDM4E (0.52) DYRK1ARAB9ANPC1KDM4EMEN1
SCHEMBL718339 0.77 RAB9A (0.44) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL714837 0.75 NPC1 (0.53) RAB9ANPC1KDM4ETP53MEN1
SCHEMBL718122 0.75 ABL1 (0.58) CLK1RAB9ANPC1ABL1PDGFRB
SCHEMBL720659 0.75 ABL1 (0.59) RAB9ANPC1KDM4ETP53MEN1
SCHEMBL718546 0.74 ABL1 (0.49) KDM4EABL1PDGFRBBCRSRC

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
EP-1746990-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB Science (FR) 2007-01-31 EP disclosed
WO-2005112920-A1 USE OF MAST CELLS INHIBITORS FOR TREATING PATIENTS EXPOSED TO CHEMICAL OR BIOLOGICAL WEAPONS AB SCIENCE (FR) 2005-12-01 WO disclosed