SCHEMBL1019330

SCHEMBL1019330

O=CCN1CCN(c2ccc(Nc3nc(NCC4CCNCC4)c4c(-c5ccncc5)c[nH]c4n3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 14/20 0.45
MET P08581 1/20 0.44
AXL P30530 1/20 0.44
MERTK Q12866 1/20 0.44
JAK3 P52333 8/20 0.43
BTK Q06187 7/20 0.43
EGFR P00533 6/20 0.43
BLK P51451 1/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
MAP4K1 Q92918 1/20 0.40
SYK P43405 2/20 0.38

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
SCHEMBL15890554 0.89 MET (0.51) ITKMETAXLMERTKJAK3
SCHEMBL4383008 0.87 SYK (0.53) ITKJAK3BTKEGFRSYK
SCHEMBL1016371 0.87 ITK (0.48) ITKMERTKJAK3BTKEGFR
SCHEMBL1016017 0.86 ITK (0.51) ITKMETMERTKJAK3BTK
SCHEMBL20336237 0.82 SYK (0.48) ITKJAK3BTKEGFRBLK
SCHEMBL20336236 0.77 SYK (0.43) ITKJAK3BTKEGFRBLK
SCHEMBL14666818 0.76 SYK (0.64) ITKJAK3BTKEGFRSYK
SCHEMBL1016016 0.72 ITK (0.56) ITKJAK3BTKEGFRBLK
SCHEMBL27912552 0.72 ITK (0.53) ITKJAK3BTKEGFRBLK
SCHEMBL1016370 0.72 SYK (0.55) ITKJAK3BTKEGFRSYK

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP claimed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO claimed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed